MMsINC Database Search


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MMsINC code: MMs00921631

Type: Neutral
Formula: C₂₀H₁₆N₂

SMILES:

n1c2c(cccc2)c(Nc2ccccc2C)c2c1cccc2

InChI:

InChI=1/C20H16N2/c1-14-8-2-5-11-17(14)22-20-15-9-3-6-12-18(15)21-19-13-7-4-10-16(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)=101.738 kcal/mol

Physical Properties
Molecular Weight: 284.362 g/mol	logS: -5.60089	SlogP: 5.44002	Reactive groups: 0

Topological Properties
Globularity: 0.205441	Sterimol/B1: 2.12035	Sterimol/B2: 5.81598	Sterimol/B3: 6.2437
Sterimol/B4: 6.63143	Sterimol/L: 12.5012

Surface and Volume Properties
Accessible surface: 513.408	Positive charged surface: 284.423	Negative charged surface: 223.568	Volume: 290.125
Hydrophobic surface: 481.622	Hydrophilic surface: 31.786

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.