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MMsINC code: MMs03567974

Type: Neutral
Formula: C₁₄H₁₅ClN₂O₂S

SMILES:

Clc1cc(C)c(S(=O)(=O)NCc2ccncc2)cc1C

InChI:

InChI=1/C14H15ClN2O2S/c1-10-8-14(11(2)7-13(10)15)20(18,19)17-9-12-3-5-16-6-4-12/h3-8,17H,9H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=32.1444 kcal/mol

Physical Properties
Molecular Weight: 310.805 g/mol	logS: -2.78785	SlogP: 3.09674	Reactive groups: 0

Topological Properties
Globularity: 0.139065	Sterimol/B1: 2.21592	Sterimol/B2: 3.21376	Sterimol/B3: 5.59176
Sterimol/B4: 6.65649	Sterimol/L: 14.6103

Surface and Volume Properties
Accessible surface: 522.836	Positive charged surface: 286.846	Negative charged surface: 235.99	Volume: 273.875
Hydrophobic surface: 429.932	Hydrophilic surface: 92.904

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.