MMsINC Database Search


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MMsINC code: MMs02555473

Type: Neutral
Formula: C₁₅H₁₆ClNO₂S

SMILES:

Clc1ccc(S(=O)(=O)N(Cc2ccccc2)C)cc1C

InChI:

InChI=1/C15H16ClNO2S/c1-12-10-14(8-9-15(12)16)20(18,19)17(2)11-13-6-4-3-5-7-13/h3-10H,11H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=42.7904 kcal/mol

Physical Properties
Molecular Weight: 309.817 g/mol	logS: -3.9611	SlogP: 3.73552	Reactive groups: 0

Topological Properties
Globularity: 0.0608733	Sterimol/B1: 2.71201	Sterimol/B2: 3.71358	Sterimol/B3: 3.77298
Sterimol/B4: 5.64634	Sterimol/L: 16.0492

Surface and Volume Properties
Accessible surface: 519.836	Positive charged surface: 268.258	Negative charged surface: 251.578	Volume: 280.75
Hydrophobic surface: 467.659	Hydrophilic surface: 52.177

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.