MMsINC Database Search


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MMsINC code: MMs02238488

Type: Neutral
Formula: C₂₀H₁₆N₂

SMILES:

n1c2c(ccc3c2cccc3)c(Nc2ccccc2C)cc1

InChI:

InChI=1/C20H16N2/c1-14-6-2-5-9-18(14)22-19-12-13-21-20-16-8-4-3-7-15(16)10-11-17(19)20/h2-13H,1H3,(H,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=111.62 kcal/mol

Physical Properties
Molecular Weight: 284.362 g/mol	logS: -5.63209	SlogP: 5.44002	Reactive groups: 0

Topological Properties
Globularity: 0.0445949	Sterimol/B1: 2.25954	Sterimol/B2: 2.28646	Sterimol/B3: 4.08999
Sterimol/B4: 7.25295	Sterimol/L: 15.7799

Surface and Volume Properties
Accessible surface: 519.656	Positive charged surface: 299.677	Negative charged surface: 203.653	Volume: 290.125
Hydrophobic surface: 500.815	Hydrophilic surface: 18.841

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.