SCS-C001438

DMAC

Pathway: Amino acids and Peptides

Chemical Structure

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Source Information

Streptomyces globisporus SCSIO LCY12 (NA)

Kingdom Bacillati Phylum Actinomycetota Class Actinomycetes Order Kitasatosporales Family Streptomycetaceae Genus Streptomyces Species Streptomyces globisporus

Weizhou Island

DOI: 10.1021/acschembio.5c00299 · ACS Chemical Biology

Drug-likeness (Lipinski Ro5)

Molecular Weight

87.1 Da

Threshold ≤ 500

ALogP

0.09

Threshold ≤ 5

H-Bond Donors

Threshold ≤ 5

H-Bond Acceptors

Threshold ≤ 10

Passes Lipinski Rule of Five — drug-like candidate

Chemical Properties

Molecular Formula:

C4H9NO

Molecular Weight:

87.1200 Da

SMILES:

CC(=O)N(C)C

InChIKey:

                        FXHOOIRPVKKKFG-UHFFFAOYSA-N
                        
                    

InChI:

InChI=1S/C4H9NO/c1-4(6)5(2)3/h1-3H3

Calculated Properties

ALogP:

0.095 lipophilicity

TPSA:

20.31 Å² polar surface area

H-Bond Donors:

H-Bond Acceptors:

Rotatable Bonds:

Ring Count:

0 (0 aromatic)

Chiral Centers:

Fsp³:

0.7500 fraction sp³ carbon

Database Information

Compound ID:

SCS-C001438

NPClassifier Pathway:

Amino acids and Peptides

NPClassifier Superclass:

N/A

NPClassifier Class:

N/A

Glycoside:

NPClassifier Status:

Classified

External Links:

General chemistry

PubChem ChemSpider ChEMBL

Natural product databases

COCONUT NP Atlas

Biological Activity Data

Activity values are displayed only when a quantitative or clearly reported result is available. Tested organisms, cell lines and molecular targets are shown under Target / model.

Activity	Assay	Target / model	Result	Reference
Non-bioactivity property	—	—	— Structured numeric value is not available in this record; see the primary reference.	10.1021/acschembio.5c00299 ACS Chemical Biology

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