MMsINC Database Search


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MMsINC code: MMs01951379

Type: Neutral
Formula: C₂₀H₁₆N₂

SMILES:

n1c2c(cccc2)c(Nc2c3c(ccc2)cccc3)cc1C

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=109.62 kcal/mol

Physical Properties
Molecular Weight: 284.362 g/mol	logS: -5.78501	SlogP: 5.44002	Reactive groups: 0

Topological Properties
Globularity: 0.0642463	Sterimol/B1: 1.99478	Sterimol/B2: 2.56328	Sterimol/B3: 4.40435
Sterimol/B4: 8.55028	Sterimol/L: 14.511

Surface and Volume Properties
Accessible surface: 518.796	Positive charged surface: 284.577	Negative charged surface: 219.577	Volume: 288.375
Hydrophobic surface: 496.87	Hydrophilic surface: 21.926

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.