MMsINC Database Search


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MMsINC code: MMs02559224

Type: Neutral
Formula: C₁₅H₁₃ClF₃NO₂S

SMILES:

Clc1ccc(S(=O)(=O)NCCc2ccccc2)cc1C(F)(F)F

InChI:

InChI=1/C15H13ClF3NO2S/c16-14-7-6-12(10-13(14)15(17,18)19)23(21,22)20-9-8-11-4-2-1-3-5-11/h1-7,10,20H,8-9H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=36.6659 kcal/mol

Physical Properties
Molecular Weight: 363.787 g/mol	logS: -4.84307	SlogP: 4.19127	Reactive groups: 0

Topological Properties
Globularity: 0.130178	Sterimol/B1: 3.36965	Sterimol/B2: 3.56552	Sterimol/B3: 4.25644
Sterimol/B4: 7.03042	Sterimol/L: 14.1089

Surface and Volume Properties
Accessible surface: 552.677	Positive charged surface: 211.446	Negative charged surface: 341.231	Volume: 289.125
Hydrophobic surface: 377.894	Hydrophilic surface: 174.783

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.