MMsINC Database Search


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MMsINC code: MMs01066377

Type: Neutral
Formula: C₁₇H₁₅ClN₂O₃S

SMILES:

Clc1cccc(NS(=O)(=O)c2ccc(cc2)-c2onc(c2)C)c1C

InChI:

InChI=1/C17H15ClN2O3S/c1-11-10-17(23-19-11)13-6-8-14(9-7-13)24(21,22)20-16-5-3-4-15(18)12(16)2/h3-10,20H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=72.3242 kcal/mol

Physical Properties
Molecular Weight: 362.837 g/mol	logS: -5.2964	SlogP: 4.41264	Reactive groups: 0

Topological Properties
Globularity: 0.146346	Sterimol/B1: 4.08719	Sterimol/B2: 4.19509	Sterimol/B3: 4.67084
Sterimol/B4: 6.64474	Sterimol/L: 14.76

Surface and Volume Properties
Accessible surface: 572.815	Positive charged surface: 265.154	Negative charged surface: 307.661	Volume: 311.875
Hydrophobic surface: 472.81	Hydrophilic surface: 100.005

Pharmacophoric Properties
Hydrogen bond donors: 1	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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.