MMsINC Database Search


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MMsINC code: MMs02626946

Type: Neutral
Formula: C₁₅H₁₆N₂

SMILES:

n1ccccc1CN1CCCc2c1cccc2

InChI:

InChI=1/C15H16N2/c1-2-9-15-13(6-1)7-5-11-17(15)12-14-8-3-4-10-16-14/h1-4,6,8-10H,5,7,11-12H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=105.26 kcal/mol

Physical Properties
Molecular Weight: 224.307 g/mol	logS: -2.36061	SlogP: 3.30077	Reactive groups: 0

Topological Properties
Globularity: 0.0657952	Sterimol/B1: 3.02531	Sterimol/B2: 3.31388	Sterimol/B3: 3.4674
Sterimol/B4: 6.02961	Sterimol/L: 13.9206

Surface and Volume Properties
Accessible surface: 449.417	Positive charged surface: 304.305	Negative charged surface: 145.112	Volume: 234.875
Hydrophobic surface: 431.653	Hydrophilic surface: 17.764

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.