MMsINC Database Search


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MMsINC code: MMs01291843

Type: Neutral
Formula: C₁₅H₁₆ClNO₂S

SMILES:

Clc1ccc(S(=O)(=O)N(CC)c2ccccc2C)cc1

InChI:

InChI=1/C15H16ClNO2S/c1-3-17(15-7-5-4-6-12(15)2)20(18,19)14-10-8-13(16)9-11-14/h4-11H,3H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=53.8369 kcal/mol

Physical Properties
Molecular Weight: 309.817 g/mol	logS: -4.34427	SlogP: 3.86362	Reactive groups: 0

Topological Properties
Globularity: 0.206991	Sterimol/B1: 2.23532	Sterimol/B2: 2.86109	Sterimol/B3: 6.06791
Sterimol/B4: 6.23211	Sterimol/L: 13.9816

Surface and Volume Properties
Accessible surface: 497.339	Positive charged surface: 237.396	Negative charged surface: 259.943	Volume: 281.875
Hydrophobic surface: 433.021	Hydrophilic surface: 64.318

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.