MMsINC Database Search


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MMsINC code: MMs02974779

Type: Neutral
Formula: C₂₁H₁₉Cl₂NO₂S

SMILES:

Clc1cc(Cl)c(S(=O)(=O)N(Cc2ccccc2)Cc2ccccc2)cc1C

InChI:

InChI=1/C21H19Cl2NO2S/c1-16-12-21(20(23)13-19(16)22)27(25,26)24(14-17-8-4-2-5-9-17)15-18-10-6-3-7-11-18/h2-13H,14-15H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=54.148 kcal/mol

Physical Properties
Molecular Weight: 420.36 g/mol	logS: -6.46329	SlogP: 6.22572	Reactive groups: 0

Topological Properties
Globularity: 0.165841	Sterimol/B1: 2.10511	Sterimol/B2: 5.54898	Sterimol/B3: 5.96884
Sterimol/B4: 6.57703	Sterimol/L: 15.8518

Surface and Volume Properties
Accessible surface: 598.05	Positive charged surface: 274.013	Negative charged surface: 324.037	Volume: 376.625
Hydrophobic surface: 549.729	Hydrophilic surface: 48.321

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.