MMsINC Database Search


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MMsINC code: MMs01656266

Type: Neutral
Formula: C₁₃H₁₀ClF₃N₂O₂S

SMILES:

Clc1ccc(cc1S(=O)(=O)NCc1ncccc1)C(F)(F)F

InChI:

InChI=1/C13H10ClF3N2O2S/c14-11-5-4-9(13(15,16)17)7-12(11)22(20,21)19-8-10-3-1-2-6-18-10/h1-7,19H,8H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=67.9931 kcal/mol

Physical Properties
Molecular Weight: 350.748 g/mol	logS: -3.67638	SlogP: 3.8102	Reactive groups: 0

Topological Properties
Globularity: 0.102571	Sterimol/B1: 2.36009	Sterimol/B2: 3.00165	Sterimol/B3: 5.47389
Sterimol/B4: 5.98459	Sterimol/L: 15.5158

Surface and Volume Properties
Accessible surface: 505.939	Positive charged surface: 196.749	Negative charged surface: 309.19	Volume: 264.375
Hydrophobic surface: 309.618	Hydrophilic surface: 196.321

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.