Standard InChI: InChI=1S/C11H5NO2S/c13-9-7-2-4-15-11(7)10(14)6-1-3-12-5-8(6)9/h1-5H
Standard InChI Key: NVFPQXJNYQVOQJ-UHFFFAOYSA-N
Associated Targets(non-human)
Staphylococcus aureus 210822 Activities
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Aspergillus niger 16508 Activities
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Rhizopus microsporus var. chinensis 21 Activities
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Mucor mucedo 338 Activities
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Bacillus subtilis 32866 Activities
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Escherichia coli 133304 Activities
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Proteus vulgaris 5823 Activities
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Pseudomonas aeruginosa 123386 Activities
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Saccharomyces cerevisiae 19171 Activities
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Schizosaccharomyces pombe 495 Activities
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Cyberlindnera jadinii 900 Activities
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Rhodotorula mucilaginosa 339 Activities
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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
Drug Indications
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Properties
Molecular Weight: 215.23
Molecular Weight (Monoisotopic): 215.0041
AlogP: 1.92
#Rotatable Bonds: 0
Polar Surface Area: 47.03
Molecular Species: NEUTRAL
HBA: 4
HBD: 0
#RO5 Violations: 0
HBA (Lipinski): 3
HBD (Lipinski): 0
#RO5 Violations (Lipinski): 0
CX Acidic pKa:
CX Basic pKa: 1.79
CX LogP: 1.61
CX LogD: 1.61
Aromatic Rings: 2
Heavy Atoms: 15
QED Weighted: 0.58
Np Likeness Score: -0.17
References
1.Koyama J, Morita I, Kobayashi N, Osakai T, Usuki Y, Taniguchi M.. (2005) Structure-activity relations of azafluorenone and azaanthraquinone as antimicrobial compounds., 15 (4):[PMID:15686916][10.1016/j.bmcl.2004.12.059]
