MMsINC Database Search


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MMsINC code: MMs02185663

Type: Neutral
Formula: C₁₅H₁₆N₂

SMILES:

N(/Nc1ccccc1)=C(\Cc1ccccc1)/C

InChI:

InChI=1/C15H16N2/c1-13(12-14-8-4-2-5-9-14)16-17-15-10-6-3-7-11-15/h2-11,17H,12H2,1H3/b16-13-

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=74.8826 kcal/mol

Physical Properties
Molecular Weight: 224.307 g/mol	logS: -3.37454	SlogP: 3.71707	Reactive groups: 0

Topological Properties
Globularity: 0.0913346	Sterimol/B1: 2.3732	Sterimol/B2: 2.86407	Sterimol/B3: 3.82174
Sterimol/B4: 7.78592	Sterimol/L: 14.0675

Surface and Volume Properties
Accessible surface: 472.63	Positive charged surface: 273.581	Negative charged surface: 199.049	Volume: 243
Hydrophobic surface: 457.374	Hydrophilic surface: 15.256

Pharmacophoric Properties
Hydrogen bond donors: 1	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.