MMsINC Database Search


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

MMsINC code: MMs00009383

Type: Neutral
Formula: C₁₅H₁₇N

SMILES:

N(Cc1ccccc1)(CC)c1ccccc1

InChI:

InChI=1/C15H17N/c1-2-16(15-11-7-4-8-12-15)13-14-9-5-3-6-10-14/h3-12H,2,13H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=67.2763 kcal/mol

Physical Properties
Molecular Weight: 211.308 g/mol	logS: -3.4074	SlogP: 3.9795	Reactive groups: 0

Topological Properties
Globularity: 0.141014	Sterimol/B1: 2.42468	Sterimol/B2: 3.16692	Sterimol/B3: 3.58437
Sterimol/B4: 7.87774	Sterimol/L: 11.9784

Surface and Volume Properties
Accessible surface: 441.914	Positive charged surface: 265.737	Negative charged surface: 176.177	Volume: 234.625
Hydrophobic surface: 405.001	Hydrophilic surface: 36.913

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 0	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.