MMsINC Database Search


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

MMsINC code: MMs02819549

Type: Neutral
Formula: C₂₅H₂₄N₂

SMILES:

n1cc(n(c1)C(Cc1ccccc1)(Cc1ccccc1)c1ccccc1)C

InChI:

InChI=1/C25H24N2/c1-21-19-26-20-27(21)25(24-15-9-4-10-16-24,17-22-11-5-2-6-12-22)18-23-13-7-3-8-14-23/h2-16,19-20H,17-18H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=165.653 kcal/mol

Physical Properties
Molecular Weight: 352.481 g/mol	logS: -5.62314	SlogP: 5.73196	Reactive groups: 0

Topological Properties
Globularity: 0.331958	Sterimol/B1: 3.08878	Sterimol/B2: 3.58098	Sterimol/B3: 6.35004
Sterimol/B4: 8.12625	Sterimol/L: 13.628

Surface and Volume Properties
Accessible surface: 559.381	Positive charged surface: 343.776	Negative charged surface: 215.606	Volume: 365.875
Hydrophobic surface: 541.68	Hydrophilic surface: 17.701

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: 1	Oprea's lead like rule: 1

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.