MMsINC Database Search


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MMsINC code: MMs03627487

Type: Neutral
Formula: C₁₅H₁₅Cl₂NO₂S

SMILES:

Clc1cccc(Cl)c1CCNS(=O)(=O)c1ccc(cc1)C

InChI:

InChI=1/C15H15Cl2NO2S/c1-11-5-7-12(8-6-11)21(19,20)18-10-9-13-14(16)3-2-4-15(13)17/h2-8,18H,9-10H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=32.1446 kcal/mol

Physical Properties
Molecular Weight: 344.262 g/mol	logS: -4.99473	SlogP: 3.82279	Reactive groups: 0

Topological Properties
Globularity: 0.103954	Sterimol/B1: 2.37998	Sterimol/B2: 3.65122	Sterimol/B3: 4.59427
Sterimol/B4: 7.64949	Sterimol/L: 14.4107

Surface and Volume Properties
Accessible surface: 554.235	Positive charged surface: 235.191	Negative charged surface: 319.044	Volume: 296.125
Hydrophobic surface: 472.667	Hydrophilic surface: 81.568

Pharmacophoric Properties
Hydrogen bond donors: 1	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.