ID: ALA205237

Max Phase: Preclinical

Molecular Formula: C7H13NO2S

Molecular Weight: 175.25

Molecule Type: Small molecule

Representations

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

Standard InChI:  InChI=1S/C7H13NO2S/c1-5(2)6-4-10-7(9)8(6)11-3/h5-6H,4H2,1-3H3/t6-/m0/s1

Standard InChI Key:  RUNALCGPGXKPNG-LURJTMIESA-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: 175.25

Molecular Weight (Monoisotopic): 175.0667

AlogP: 1.74

#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: 1.84

CX LogD: 1.84

Aromatic Rings: 0

Heavy Atoms: 11

QED Weighted: 0.60

Np Likeness Score: 0.12

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