MMsINC Database Search


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

MMsINC code: MMs00621785

Type: Neutral
Formula: C₁₀H₁₀F₃NO₂

SMILES:

FC(F)(F)C(=O)NCc1ccc(OC)cc1

InChI:

InChI=1/C10H10F3NO2/c1-16-8-4-2-7(3-5-8)6-14-9(15)10(11,12)13/h2-5H,6H2,1H3,(H,14,15)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=66.7595 kcal/mol

Physical Properties
Molecular Weight: 233.189 g/mol	logS: -2.66438	SlogP: 2.56	Reactive groups: 0

Topological Properties
Globularity: 0.0824295	Sterimol/B1: 2.762	Sterimol/B2: 3.12141	Sterimol/B3: 3.8494
Sterimol/B4: 4.64952	Sterimol/L: 14.5207

Surface and Volume Properties
Accessible surface: 428.996	Positive charged surface: 221.791	Negative charged surface: 207.204	Volume: 193.375
Hydrophobic surface: 252.626	Hydrophilic surface: 176.37

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.