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MMsINC code: MMs02867668

Type: Neutral
Formula: C₁₉H₁₄ClNO₃S

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)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=84.7129 kcal/mol

Physical Properties
Molecular Weight: 371.844 g/mol	logS: -6.92387	SlogP: 5.32742	Reactive groups: 0

Topological Properties
Globularity: 0.0189702	Sterimol/B1: 2.9472	Sterimol/B2: 3.13094	Sterimol/B3: 3.52714
Sterimol/B4: 5.60275	Sterimol/L: 19.7552

Surface and Volume Properties
Accessible surface: 604.02	Positive charged surface: 262.512	Negative charged surface: 341.508	Volume: 325.875
Hydrophobic surface: 494.338	Hydrophilic surface: 109.682

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 0

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

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Ions/Tautomers related molecules

MMs02867669
PUBCHEM-ZINC02060376