MMsINC Database Search


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MMsINC code: MMs02816332

Type: Neutral
Formula: C₂₀H₁₆N₂

SMILES:

[nH]1c(-c2nccc3c2cccc3)c(cc1-c1ccccc1)C

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=76.0514 kcal/mol

Physical Properties
Molecular Weight: 284.362 g/mol	logS: -5.36747	SlogP: 5.20532	Reactive groups: 0

Topological Properties
Globularity: 0.0533315	Sterimol/B1: 2.16876	Sterimol/B2: 2.40315	Sterimol/B3: 4.1425
Sterimol/B4: 8.44185	Sterimol/L: 15.1381

Surface and Volume Properties
Accessible surface: 536.54	Positive charged surface: 299.377	Negative charged surface: 226.6	Volume: 293.625
Hydrophobic surface: 510.81	Hydrophilic surface: 25.73

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.