MMsINC Database Search


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MMsINC code: MMs00348692

Type: Neutral
Formula: C₂₀H₁₆N₂

SMILES:

n1c2c(cccc2)c(N(C)c2ccccc2)c2c1cccc2

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=107.266 kcal/mol

Physical Properties
Molecular Weight: 284.362 g/mol	logS: -5.57137	SlogP: 5.1559	Reactive groups: 0

Topological Properties
Globularity: 0.265271	Sterimol/B1: 1.99036	Sterimol/B2: 6.02477	Sterimol/B3: 6.04485
Sterimol/B4: 7.12796	Sterimol/L: 12.413

Surface and Volume Properties
Accessible surface: 508.811	Positive charged surface: 294.117	Negative charged surface: 210.384	Volume: 292
Hydrophobic surface: 484.603	Hydrophilic surface: 24.208

Pharmacophoric Properties
Hydrogen bond donors: 0	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.