Standard InChI: InChI=1S/C20H20ClF2N3O5S/c21-16-10-15(2-3-17(16)22)32(28,29)24-11-14-12-26(20(27)31-14)13-1-4-19(18(23)9-13)25-5-7-30-8-6-25/h1-4,9-10,14,24H,5-8,11-12H2/t14-/m0/s1
Standard InChI Key: YQVRGKCJHNPCML-AWEZNQCLSA-N
Associated Targets(non-human)
Raoultella planticola 618 Activities
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Pseudomonas aeruginosa 123386 Activities
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Escherichia coli 133304 Activities
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Mycobacterium tuberculosis 203094 Activities
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Candida albicans 78123 Activities
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Staphylococcus aureus 210822 Activities
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Micrococcus luteus 7463 Activities
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Staphylococcus 1598 Activities
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Bacillus subtilis 32866 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
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Properties
Molecular Weight: 487.91
Molecular Weight (Monoisotopic): 487.0780
AlogP: 2.76
#Rotatable Bonds: 6
Polar Surface Area: 88.18
Molecular Species: NEUTRAL
HBA: 6
HBD: 1
#RO5 Violations: 0
HBA (Lipinski): 8
HBD (Lipinski): 1
#RO5 Violations (Lipinski): 0
CX Acidic pKa: 9.08
CX Basic pKa:
CX LogP: 2.99
CX LogD: 2.99
Aromatic Rings: 2
Heavy Atoms: 32
QED Weighted: 0.67
Np Likeness Score: -2.18
References
1.Kamal A, Swapna P, Shetti RV, Shaik AB, Narasimha Rao MP, Gupta S.. (2013) Synthesis, biological evaluation of new oxazolidino-sulfonamides as potential antimicrobial agents., 62 [PMID:23434639][10.1016/j.ejmech.2013.01.034]
