MMsINC Database Search


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MMsINC code: MMs02988588

Type: Neutral
Formula: C₁₅H₁₄N₂

SMILES:

N=1CCN(C=1c1ccccc1)c1ccccc1

InChI:

InChI=1/C15H14N2/c1-3-7-13(8-4-1)15-16-11-12-17(15)14-9-5-2-6-10-14/h1-10H,11-12H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=99.1902 kcal/mol

Physical Properties
Molecular Weight: 222.291 g/mol	logS: -3.49249	SlogP: 2.9534	Reactive groups: 0

Topological Properties
Globularity: 0.161008	Sterimol/B1: 2.53694	Sterimol/B2: 3.33992	Sterimol/B3: 3.84906
Sterimol/B4: 7.83361	Sterimol/L: 11.3861

Surface and Volume Properties
Accessible surface: 436.085	Positive charged surface: 289.657	Negative charged surface: 146.428	Volume: 230.5
Hydrophobic surface: 408.936	Hydrophilic surface: 27.149

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.