MMsINC Database Search


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

MMsINC code: MMs00609873

Type: Neutral
Formula: C₁₇H₁₉FN₂O

SMILES:

Fc1ccccc1CNc1ccc(N2CCOCC2)cc1

InChI:

InChI=1/C17H19FN2O/c18-17-4-2-1-3-14(17)13-19-15-5-7-16(8-6-15)20-9-11-21-12-10-20/h1-8,19H,9-13H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=130.139 kcal/mol

Physical Properties
Molecular Weight: 286.35 g/mol	logS: -3.46311	SlogP: 3.5408	Reactive groups: 0

Topological Properties
Globularity: 0.0474491	Sterimol/B1: 2.42987	Sterimol/B2: 3.77438	Sterimol/B3: 3.91202
Sterimol/B4: 5.04458	Sterimol/L: 17.3849

Surface and Volume Properties
Accessible surface: 537.157	Positive charged surface: 358.238	Negative charged surface: 178.92	Volume: 282.5
Hydrophobic surface: 493.9	Hydrophilic surface: 43.257

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.