ID: ALA208273

Max Phase: Preclinical

Molecular Formula: C10H11NO2S

Molecular Weight: 209.27

Molecule Type: Small molecule

Representations

Canonical SMILES:  CSN1C(=O)OC[C@@H]1c1ccccc1

Standard InChI:  InChI=1S/C10H11NO2S/c1-14-11-9(7-13-10(11)12)8-5-3-2-4-6-8/h2-6,9H,7H2,1H3/t9-/m1/s1

Standard InChI Key:  RBGYERCOKDHRIC-SECBINFHSA-N

Molecule Features

Natural Product: No

Oral: No

Chemical Probe: No

Parenteral: No

Molecule Type: Small molecule

Topical: No

First In Class: No

Black Box: No

Chirality: No

Availability: No

Prodrug: No

Properties

Molecular Weight: 209.27

Molecular Weight (Monoisotopic): 209.0510

AlogP: 2.46

#Rotatable Bonds: 2

Polar Surface Area: 29.54

Molecular Species:

HBA: 3

HBD: 0

#RO5 Violations: 0

HBA (Lipinski): 3

HBD (Lipinski): 0

#RO5 Violations (Lipinski): 0

CX Acidic pKa:

CX Basic pKa:

CX LogP: 2.32

CX LogD: 2.32

Aromatic Rings: 1

Heavy Atoms: 14

QED Weighted: 0.70

Np Likeness Score: -0.40

References

1. Mishra RK, Revell KD, Coates CM, Turos E, Dickey S, Lim DV..  (2006)  N-thiolated 2-oxazolidinones: a new family of antibacterial agents for methicillin-resistant Staphylococcus aureus and Bacillus anthracis.,  16  (8): [PMID:16464583] [10.1016/j.bmcl.2006.01.058]

Source

Source(1):

• Scientific Literature