MMsINC Database Search


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

MMsINC code: MMs01074236

Type: Neutral
Formula: C₁₅H₁₈F₃NO

SMILES:

FC(F)(F)c1cc(ccc1)CC(=O)NC1CCCCC1

InChI:

InChI=1/C15H18F3NO/c16-15(17,18)12-6-4-5-11(9-12)10-14(20)19-13-7-2-1-3-8-13/h4-6,9,13H,1-3,7-8,10H2,(H,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=47.7702 kcal/mol

Physical Properties
Molecular Weight: 285.309 g/mol	logS: -4.12017	SlogP: 4.00827	Reactive groups: 0

Topological Properties
Globularity: 0.067706	Sterimol/B1: 2.15471	Sterimol/B2: 2.68112	Sterimol/B3: 4.68037
Sterimol/B4: 5.89301	Sterimol/L: 15.2577

Surface and Volume Properties
Accessible surface: 514.269	Positive charged surface: 300.534	Negative charged surface: 213.736	Volume: 261.5
Hydrophobic surface: 374.785	Hydrophilic surface: 139.484

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.