MMsINC Database Search


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MMsINC code: MMs03196515

Type: Neutral
Formula: C₁₅H₁₆ClNO₂S

SMILES:

Clc1ccc(cc1)CNS(=O)(=O)c1ccc(cc1)CC

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=18.1267 kcal/mol

Physical Properties
Molecular Weight: 309.817 g/mol	logS: -4.71419	SlogP: 3.64727	Reactive groups: 0

Topological Properties
Globularity: 0.0731698	Sterimol/B1: 3.27359	Sterimol/B2: 3.91058	Sterimol/B3: 4.31556
Sterimol/B4: 5.2096	Sterimol/L: 17.7974

Surface and Volume Properties
Accessible surface: 541.468	Positive charged surface: 264.598	Negative charged surface: 276.87	Volume: 278.875
Hydrophobic surface: 432.726	Hydrophilic surface: 108.742

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.