MMsINC Database Search


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MMsINC code: MMs02349826

Type: Neutral
Formula: C₁₅H₁₈N₂

SMILES:

N(C(Nc1ccccc1)CC)c1ccccc1

InChI:

InChI=1/C15H18N2/c1-2-15(16-13-9-5-3-6-10-13)17-14-11-7-4-8-12-14/h3-12,15-17H,2H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=57.0604 kcal/mol

Physical Properties
Molecular Weight: 226.323 g/mol	logS: -3.18185	SlogP: 3.9467	Reactive groups: 0

Topological Properties
Globularity: 0.246794	Sterimol/B1: 2.52183	Sterimol/B2: 2.85087	Sterimol/B3: 4.76276
Sterimol/B4: 8.48984	Sterimol/L: 11.5218

Surface and Volume Properties
Accessible surface: 477.613	Positive charged surface: 294.07	Negative charged surface: 183.543	Volume: 247.125
Hydrophobic surface: 429.73	Hydrophilic surface: 47.883

Pharmacophoric Properties
Hydrogen bond donors: 2	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

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Ions/Tautomers related molecules: no related molecules available.