MMsINC Database Search


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MMsINC code: MMs03533855

Type: Neutral
Formula: C₁₄H₁₂ClF₃N₂O₂S

SMILES:

Clc1ccc(S(=O)(=O)NCCc2ncccc2)cc1C(F)(F)F

InChI:

InChI=1/C14H12ClF3N2O2S/c15-13-5-4-11(9-12(13)14(16,17)18)23(21,22)20-8-6-10-3-1-2-7-19-10/h1-5,7,9,20H,6,8H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=33.9801 kcal/mol

Physical Properties
Molecular Weight: 364.775 g/mol	logS: -3.73785	SlogP: 3.58627	Reactive groups: 0

Topological Properties
Globularity: 0.0897736	Sterimol/B1: 3.79095	Sterimol/B2: 3.80817	Sterimol/B3: 4.28623
Sterimol/B4: 6.08194	Sterimol/L: 14.807

Surface and Volume Properties
Accessible surface: 546.59	Positive charged surface: 232.608	Negative charged surface: 313.983	Volume: 281.5
Hydrophobic surface: 365.887	Hydrophilic surface: 180.703

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.