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MMsINC code: MMs01589428

Type: Neutral
Formula: C₁₅H₁₇ClN₂O₂S

SMILES:

Clc1ncc(S(=O)(=O)N(Cc2ccc(cc2)CC)C)cc1

InChI:

InChI=1/C15H17ClN2O2S/c1-3-12-4-6-13(7-5-12)11-18(2)21(19,20)14-8-9-15(16)17-10-14/h4-10H,3,11H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=32.9379 kcal/mol

Physical Properties
Molecular Weight: 324.832 g/mol	logS: -3.84289	SlogP: 3.38447	Reactive groups: 0

Topological Properties
Globularity: 0.0506663	Sterimol/B1: 3.05174	Sterimol/B2: 3.25724	Sterimol/B3: 4.47289
Sterimol/B4: 4.69263	Sterimol/L: 18.3172

Surface and Volume Properties
Accessible surface: 557.327	Positive charged surface: 303.691	Negative charged surface: 253.636	Volume: 294.375
Hydrophobic surface: 454.11	Hydrophilic surface: 103.217

Pharmacophoric Properties
Hydrogen bond donors: 0	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.