MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs01270743

Type: Neutral
Formula: C₁₉H₁₁ClF₃NO₂

SMILES:

Clc1cc(cnc1Oc1ccc(cc1)C(=O)c1ccccc1)C(F)(F)F

InChI:

InChI=1/C19H11ClF3NO2/c20-16-10-14(19(21,22)23)11-24-18(16)26-15-8-6-13(7-9-15)17(25)12-4-2-1-3-5-12/h1-11H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=115.948 kcal/mol

Physical Properties
Molecular Weight: 377.749 g/mol	logS: -6.08436	SlogP: 6.0886	Reactive groups: 0

Topological Properties
Globularity: 0.0561672	Sterimol/B1: 2.30777	Sterimol/B2: 4.4475	Sterimol/B3: 4.91332
Sterimol/B4: 4.95469	Sterimol/L: 17.3837

Surface and Volume Properties
Accessible surface: 587.412	Positive charged surface: 243.923	Negative charged surface: 343.49	Volume: 309.5
Hydrophobic surface: 440.548	Hydrophilic surface: 146.864

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: 1	Oprea's lead like rule: 1

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.