MMsINC Database Search


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

MMsINC code: MMs02880484

Type: Neutral
Formula: C₁₁H₁₂ClF₃N₂O

SMILES:

Clc1ccc(cc1NC(=O)NC(C)C)C(F)(F)F

InChI:

InChI=1/C11H12ClF3N2O/c1-6(2)16-10(18)17-9-5-7(11(13,14)15)3-4-8(9)12/h3-6H,1-2H3,(H2,16,17,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=35.7243 kcal/mol

Physical Properties
Molecular Weight: 280.677 g/mol	logS: -3.87345	SlogP: 4.2002	Reactive groups: 0

Topological Properties
Globularity: 0.0669907	Sterimol/B1: 2.52782	Sterimol/B2: 4.0854	Sterimol/B3: 4.50194
Sterimol/B4: 5.88092	Sterimol/L: 13.2747

Surface and Volume Properties
Accessible surface: 472.292	Positive charged surface: 210.117	Negative charged surface: 262.176	Volume: 226
Hydrophobic surface: 278.409	Hydrophilic surface: 193.883

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 1	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

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.