MMsINC Database Search


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MMsINC code: MMs01589634

Type: Neutral
Formula: C₁₅H₁₄ClNO₂S

SMILES:

Clc1ccccc1S(=O)(=O)N1CCCc2c1cccc2

InChI:

InChI=1/C15H14ClNO2S/c16-13-8-2-4-10-15(13)20(18,19)17-11-5-7-12-6-1-3-9-14(12)17/h1-4,6,8-10H,5,7,11H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=62.4582 kcal/mol

Physical Properties
Molecular Weight: 307.801 g/mol	logS: -4.24223	SlogP: 3.48147	Reactive groups: 0

Topological Properties
Globularity: 0.245033	Sterimol/B1: 2.46302	Sterimol/B2: 3.05979	Sterimol/B3: 5.07089
Sterimol/B4: 7.65485	Sterimol/L: 11.5095

Surface and Volume Properties
Accessible surface: 466.517	Positive charged surface: 243.334	Negative charged surface: 223.184	Volume: 266.125
Hydrophobic surface: 415.341	Hydrophilic surface: 51.176

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.