MMsINC Database Search


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

MMsINC code: MMs02278294

Type: Neutral
Formula: C₁₅H₁₅N

SMILES:

N(\C=C\c1ccccc1)(C)c1ccccc1

InChI:

InChI=1/C15H15N/c1-16(15-10-6-3-7-11-15)13-12-14-8-4-2-5-9-14/h2-13H,1H3/b13-12+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=83.2765 kcal/mol

Physical Properties
Molecular Weight: 209.292 g/mol	logS: -3.35276	SlogP: 3.7937	Reactive groups: 0

Topological Properties
Globularity: 0.00427818	Sterimol/B1: 1.969	Sterimol/B2: 2.10256	Sterimol/B3: 2.51307
Sterimol/B4: 6.91343	Sterimol/L: 14.5879

Surface and Volume Properties
Accessible surface: 453.306	Positive charged surface: 252.177	Negative charged surface: 201.129	Volume: 231.75
Hydrophobic surface: 453.074	Hydrophilic surface: 0.23199999999997

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.