MMsINC Database Search


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MMsINC code: MMs03285410

Type: Neutral
Formula: C₂₂H₁₆N₂

SMILES:

n1c(cc(cc1-c1ncccc1)-c1ccccc1)-c1ccccc1

InChI:

InChI=1/C22H16N2/c1-3-9-17(10-4-1)19-15-21(18-11-5-2-6-12-18)24-22(16-19)20-13-7-8-14-23-20/h1-16H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=102.767 kcal/mol

Physical Properties
Molecular Weight: 308.384 g/mol	logS: -6.05414	SlogP: 5.4776	Reactive groups: 0

Topological Properties
Globularity: 7.51668e-07	Sterimol/B1: 2.10188	Sterimol/B2: 2.1025	Sterimol/B3: 7.05328
Sterimol/B4: 7.47639	Sterimol/L: 14.4675

Surface and Volume Properties
Accessible surface: 575.927	Positive charged surface: 289.608	Negative charged surface: 269.713	Volume: 318.25
Hydrophobic surface: 545.967	Hydrophilic surface: 29.96

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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.