ID: ALA4204887

Max Phase: Preclinical

Molecular Formula: C10H12BNO7S

Molecular Weight: 301.08

Molecule Type: Small molecule

Representations

Canonical SMILES:  O=C(O)c1cccc(CS(=O)(=O)C(=O)NCB(O)O)c1

Standard InChI:  InChI=1S/C10H12BNO7S/c13-9(14)8-3-1-2-7(4-8)5-20(18,19)10(15)12-6-11(16)17/h1-4,16-17H,5-6H2,(H,12,15)(H,13,14)

Standard InChI Key:  QHDNHPVOCKRDPE-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: 301.08

Molecular Weight (Monoisotopic): 301.0428

AlogP:

#Rotatable Bonds:

Polar Surface Area:

Molecular Species:

HBA:

HBD:

#RO5 Violations:

HBA (Lipinski):

HBD (Lipinski):

#RO5 Violations (Lipinski):

CX Acidic pKa:

CX Basic pKa:

CX LogP:

CX LogD:

Aromatic Rings:

Heavy Atoms:

QED Weighted:

Np Likeness Score:

References

1. González-Bello C..  (2017)  Antibiotic adjuvants - A strategy to unlock bacterial resistance to antibiotics.,  27  (18): [PMID:28827113] [10.1016/j.bmcl.2017.08.027]

Source

Source(1):

• Scientific Literature