MMsINC Database Search


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MMsINC code: MMs02817326

Type: Neutral
Formula: C₂₀H₁₆N₂

SMILES:

n1c2c(ccc3c2nc(cc3)C)c(cc1C)-c1ccccc1

InChI:

InChI=1/C20H16N2/c1-13-8-9-16-10-11-17-18(15-6-4-3-5-7-15)12-14(2)22-20(17)19(16)21-13/h3-12H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=104.694 kcal/mol

Physical Properties
Molecular Weight: 284.362 g/mol	logS: -5.61512	SlogP: 5.06684	Reactive groups: 0

Topological Properties
Globularity: 0.0339002	Sterimol/B1: 3.01505	Sterimol/B2: 3.09933	Sterimol/B3: 5.34871
Sterimol/B4: 5.64736	Sterimol/L: 15.7521

Surface and Volume Properties
Accessible surface: 540.654	Positive charged surface: 312.074	Negative charged surface: 215.019	Volume: 293
Hydrophobic surface: 509.871	Hydrophilic surface: 30.783

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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

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Ions/Tautomers related molecules: no related molecules available.