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MMsINC code: MMs02647791

Type: Neutral
Formula: C₁₂H₁₆ClNO₂S

SMILES:

Clc1ccc(S(=O)(=O)N2CCCCC2)cc1C

InChI:

InChI=1/C12H16ClNO2S/c1-10-9-11(5-6-12(10)13)17(15,16)14-7-3-2-4-8-14/h5-6,9H,2-4,7-8H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=23.8057 kcal/mol

Physical Properties
Molecular Weight: 273.784 g/mol	logS: -2.94735	SlogP: 2.82302	Reactive groups: 0

Topological Properties
Globularity: 0.0922506	Sterimol/B1: 2.36687	Sterimol/B2: 3.04678	Sterimol/B3: 4.40911
Sterimol/B4: 6.02451	Sterimol/L: 13.8268

Surface and Volume Properties
Accessible surface: 463.59	Positive charged surface: 263.171	Negative charged surface: 200.419	Volume: 244
Hydrophobic surface: 409.635	Hydrophilic surface: 53.955

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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.