MMsINC Database Search


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

MMsINC code: MMs03367735

Type: Neutral
Formula: C₁₄H₁₅N

SMILES:

NCc1ccc(cc1)-c1ccc(cc1)C

InChI:

InChI=1/C14H15N/c1-11-2-6-13(7-3-11)14-8-4-12(10-15)5-9-14/h2-9H,10,15H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=54.9641 kcal/mol

Physical Properties
Molecular Weight: 197.281 g/mol	logS: -3.9501	SlogP: 3.38712	Reactive groups: 0

Topological Properties
Globularity: 0.0201818	Sterimol/B1: 2.5377	Sterimol/B2: 2.87697	Sterimol/B3: 3.59721
Sterimol/B4: 3.71844	Sterimol/L: 14.8643

Surface and Volume Properties
Accessible surface: 441.219	Positive charged surface: 257.542	Negative charged surface: 173.056	Volume: 215.25
Hydrophobic surface: 368.58	Hydrophilic surface: 72.639

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

MMs03367736
PUBCHEM-ZINC05739582