MMsINC Database Search


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

MMsINC code: MMs00107738

Type: Neutral
Formula: C₁₀H₁₀F₃NO₂

SMILES:

FC(F)(F)C(=O)Nc1ccc(OCC)cc1

InChI:

InChI=1/C10H10F3NO2/c1-2-16-8-5-3-7(4-6-8)14-9(15)10(11,12)13/h3-6H,2H2,1H3,(H,14,15)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=78.4113 kcal/mol

Physical Properties
Molecular Weight: 233.189 g/mol	logS: -3.04755	SlogP: 3.006	Reactive groups: 0

Topological Properties
Globularity: 0.0234683	Sterimol/B1: 2.53579	Sterimol/B2: 2.81796	Sterimol/B3: 3.72211
Sterimol/B4: 3.97034	Sterimol/L: 14.5422

Surface and Volume Properties
Accessible surface: 423.957	Positive charged surface: 206.616	Negative charged surface: 217.341	Volume: 192.25
Hydrophobic surface: 236.545	Hydrophilic surface: 187.412

Pharmacophoric Properties
Hydrogen bond donors: 1	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: 0	Oprea's lead like rule: 1

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.