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MMsINC code: MMs01589744

Type: Neutral
Formula: C₁₅H₁₇ClN₂O₂S

SMILES:

Clc1ncc(S(=O)(=O)NC(CCc2ccccc2)C)cc1

InChI:

InChI=1/C15H17ClN2O2S/c1-12(7-8-13-5-3-2-4-6-13)18-21(19,20)14-9-10-15(16)17-11-14/h2-6,9-12,18H,7-8H2,1H3/t12-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=20.4942 kcal/mol

Physical Properties
Molecular Weight: 324.832 g/mol	logS: -3.36862	SlogP: 3.03457	Reactive groups: 0

Topological Properties
Globularity: 0.188547	Sterimol/B1: 2.10475	Sterimol/B2: 3.00271	Sterimol/B3: 4.93941
Sterimol/B4: 9.97381	Sterimol/L: 13.1484

Surface and Volume Properties
Accessible surface: 540.964	Positive charged surface: 263.187	Negative charged surface: 277.777	Volume: 290.625
Hydrophobic surface: 426.608	Hydrophilic surface: 114.356

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.