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MMsINC code: MMs02867669

Type: Ionized
Formula: C₁₉H₁₃ClNO₃S-

SMILES:

Clc1ccc(cc1)-c1csc(NC(=O)c2ccc(cc2)C)c1C(=O)[O-]

InChI:

InChI=1/C19H14ClNO3S/c1-11-2-4-13(5-3-11)17(22)21-18-16(19(23)24)15(10-25-18)12-6-8-14(20)9-7-12/h2-10H,1H3,(H,21,22)(H,23,24)/p-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=57.7394 kcal/mol

Physical Properties
Molecular Weight: 370.836 g/mol	logS: -7.18432	SlogP: 3.99272	Reactive groups: 0

Topological Properties
Globularity: 0.0317808	Sterimol/B1: 2.82946	Sterimol/B2: 3.40039	Sterimol/B3: 3.60511
Sterimol/B4: 5.93337	Sterimol/L: 19.8403

Surface and Volume Properties
Accessible surface: 599.839	Positive charged surface: 263.176	Negative charged surface: 336.663	Volume: 325.75
Hydrophobic surface: 496.589	Hydrophilic surface: 103.25

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	Acid groups: 2	Basic groups: 0
Chiral centers: 0

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

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Parent related molecule:

MMs02867668
PUBCHEM-ZINC02060376