MMsINC Database Search


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

MMsINC code: MMs01313560

Type: Neutral
Formula: C₁₇H₁₇F₂NO

SMILES:

Fc1cc(F)ccc1C(=O)NC(CCc1ccccc1)C

InChI:

InChI=1/C17H17F2NO/c1-12(7-8-13-5-3-2-4-6-13)20-17(21)15-10-9-14(18)11-16(15)19/h2-6,9-12H,7-8H2,1H3,(H,20,21)/t12-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=45.6744 kcal/mol

Physical Properties
Molecular Weight: 289.325 g/mol	logS: -4.47932	SlogP: 3.71587	Reactive groups: 0

Topological Properties
Globularity: 0.0684611	Sterimol/B1: 2.24285	Sterimol/B2: 2.47721	Sterimol/B3: 4.39061
Sterimol/B4: 7.50876	Sterimol/L: 15.8329

Surface and Volume Properties
Accessible surface: 535.25	Positive charged surface: 290.108	Negative charged surface: 245.142	Volume: 278.125
Hydrophobic surface: 485.635	Hydrophilic surface: 49.615

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	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.