MMsINC Database Search


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

MMsINC code: MMs00023395

Type: Neutral
Formula: C₁₀H₁₃F₃N+

SMILES:

FC(F)(F)c1cc([N+](C)(C)C)ccc1

InChI:

InChI=1/C10H13F3N/c1-14(2,3)9-6-4-5-8(7-9)10(11,12)13/h4-7H,1-3H3/q+1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=69.4156 kcal/mol

Physical Properties
Molecular Weight: 204.215 g/mol	logS: -2.23846	SlogP: 3.2136	Reactive groups: 0

Topological Properties
Globularity: 0.154394	Sterimol/B1: 3.57287	Sterimol/B2: 3.5756	Sterimol/B3: 3.73493
Sterimol/B4: 4.33047	Sterimol/L: 10.9713

Surface and Volume Properties
Accessible surface: 380.565	Positive charged surface: 228.594	Negative charged surface: 151.97	Volume: 184.25
Hydrophobic surface: 224.532	Hydrophilic surface: 156.033

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 0	Acid groups: 0	Basic groups: 1
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.