MMsINC Database Search


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

MMsINC code: MMs02821601

Type: Neutral
Formula: C₁₀H₁₀ClF₃N₂O

SMILES:

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

InChI:

InChI=1/C10H10ClF3N2O/c1-16(2)9(17)15-8-5-6(10(12,13)14)3-4-7(8)11/h3-5H,1-2H3,(H,15,17)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=45.5978 kcal/mol

Physical Properties
Molecular Weight: 266.65 g/mol	logS: -3.11304	SlogP: 3.7638	Reactive groups: 0

Topological Properties
Globularity: 0.0376177	Sterimol/B1: 2.52776	Sterimol/B2: 2.71393	Sterimol/B3: 3.40478
Sterimol/B4: 6.93192	Sterimol/L: 12.1276

Surface and Volume Properties
Accessible surface: 433.267	Positive charged surface: 217.609	Negative charged surface: 215.657	Volume: 210.625
Hydrophobic surface: 299.474	Hydrophilic surface: 133.793

Pharmacophoric Properties
Hydrogen bond donors: 1	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.