ID: ALA2252857

Max Phase: Preclinical

Molecular Formula: C9H7FN2O3S

Molecular Weight: 242.23

Molecule Type: Small molecule

Representations

Canonical SMILES:  CS(=O)(=O)c1nnc(-c2ccccc2F)o1

Standard InChI:  InChI=1S/C9H7FN2O3S/c1-16(13,14)9-12-11-8(15-9)6-4-2-3-5-7(6)10/h2-5H,1H3

Standard InChI Key:  XOLZWFDOJBTQRF-UHFFFAOYSA-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: 242.23

Molecular Weight (Monoisotopic): 242.0161

AlogP: 1.28

#Rotatable Bonds: 2

Polar Surface Area: 73.06

Molecular Species: NEUTRAL

HBA: 5

HBD: 0

#RO5 Violations: 0

HBA (Lipinski): 5

HBD (Lipinski): 0

#RO5 Violations (Lipinski): 0

CX Acidic pKa:

CX Basic pKa:

CX LogP: 0.65

CX LogD: 0.65

Aromatic Rings: 2

Heavy Atoms: 16

QED Weighted: 0.79

Np Likeness Score: -1.55

References

1. Xu W, He J, He M, Han F, Chen X, Pan Z, Wang J, Tong M..  (2011)  Synthesis and antifungal activity of novel sulfone derivatives containing 1,3,4-oxadiazole moieties.,  16  (11): [PMID:22045041] [10.3390/molecules16119129]

Source

Source(1):

• Scientific Literature