MMsINC Database Search


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

MMsINC code: MMs01962094

Type: Neutral
Formula: C₁₄H₂₂N₂O

SMILES:

O=C(N(Cc1ccccc1)CCCC)N(C)C

InChI:

InChI=1/C14H22N2O/c1-4-5-11-16(14(17)15(2)3)12-13-9-7-6-8-10-13/h6-10H,4-5,11-12H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=121.634 kcal/mol

Physical Properties
Molecular Weight: 234.343 g/mol	logS: -2.20445	SlogP: 3.2367	Reactive groups: 0

Topological Properties
Globularity: 0.111086	Sterimol/B1: 2.22712	Sterimol/B2: 3.34199	Sterimol/B3: 3.44668
Sterimol/B4: 8.29218	Sterimol/L: 13.2137

Surface and Volume Properties
Accessible surface: 484.801	Positive charged surface: 357.245	Negative charged surface: 127.555	Volume: 256.375
Hydrophobic surface: 432.316	Hydrophilic surface: 52.485

Pharmacophoric Properties
Hydrogen bond donors: 0	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.