MMsINC Database Search


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MMsINC code: MMs00499381

Type: Neutral
Formula: C₁₄H₁₃Cl₂NO₂S

SMILES:

Clc1ccccc1CS(=O)(=O)NCc1ccc(Cl)cc1

InChI:

InChI=1/C14H13Cl2NO2S/c15-13-7-5-11(6-8-13)9-17-20(18,19)10-12-3-1-2-4-14(12)16/h1-8,17H,9-10H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=30.1027 kcal/mol

Physical Properties
Molecular Weight: 330.235 g/mol	logS: -4.40338	SlogP: 4.1458	Reactive groups: 0

Topological Properties
Globularity: 0.0489965	Sterimol/B1: 2.65664	Sterimol/B2: 3.5045	Sterimol/B3: 3.93721
Sterimol/B4: 5.16741	Sterimol/L: 17.867

Surface and Volume Properties
Accessible surface: 534.543	Positive charged surface: 226.867	Negative charged surface: 307.676	Volume: 278.625
Hydrophobic surface: 458.881	Hydrophilic surface: 75.662

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.