MMsINC Database Search


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MMsINC code: MMs01224537

Type: Neutral
Formula: C₁₃H₁₂ClNO₂S

SMILES:

Clc1ccc(S(=O)(=O)N(C)c2ccccc2)cc1

InChI:

InChI=1/C13H12ClNO2S/c1-15(12-5-3-2-4-6-12)18(16,17)13-9-7-11(14)8-10-13/h2-10H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=52.316 kcal/mol

Physical Properties
Molecular Weight: 281.763 g/mol	logS: -3.85659	SlogP: 3.1651	Reactive groups: 0

Topological Properties
Globularity: 0.0864554	Sterimol/B1: 2.33223	Sterimol/B2: 2.45066	Sterimol/B3: 4.84434
Sterimol/B4: 6.89376	Sterimol/L: 14.0083

Surface and Volume Properties
Accessible surface: 469.412	Positive charged surface: 216.278	Negative charged surface: 253.134	Volume: 246.875
Hydrophobic surface: 413.92	Hydrophilic surface: 55.492

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.