MMsINC Database Search


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

MMsINC code: MMs00049535

Type: Neutral
Formula: C₆H₁₀F₃NO₂

SMILES:

FC(F)(F)CCCC(N)C(O)=O

InChI:

InChI=1/C6H10F3NO2/c7-6(8,9)3-1-2-4(10)5(11)12/h4H,1-3,10H2,(H,11,12)/t4-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=28.171 kcal/mol

Physical Properties
Molecular Weight: 185.145 g/mol	logS: -0.96604	SlogP: 1.5508	Reactive groups: 0

Topological Properties
Globularity: 0.102274	Sterimol/B1: 2.72807	Sterimol/B2: 3.25244	Sterimol/B3: 3.30439
Sterimol/B4: 3.65121	Sterimol/L: 11.4248

Surface and Volume Properties
Accessible surface: 350.25	Positive charged surface: 173.914	Negative charged surface: 176.336	Volume: 146.5
Hydrophobic surface: 99.1472	Hydrophilic surface: 251.1028

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.