MMsINC Database Search


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MMsINC code: MMs02992245

Type: Neutral
Formula: C₂₂H₁₆N₂

SMILES:

n1c(cc(cc1-c1ccccc1)-c1ccncc1)-c1ccccc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=101.169 kcal/mol

Physical Properties
Molecular Weight: 308.384 g/mol	logS: -6.08534	SlogP: 5.4776	Reactive groups: 0

Topological Properties
Globularity: 8.84039e-07	Sterimol/B1: 2.09743	Sterimol/B2: 2.1034	Sterimol/B3: 3.23113
Sterimol/B4: 10.4055	Sterimol/L: 14.5204

Surface and Volume Properties
Accessible surface: 569.275	Positive charged surface: 293.848	Negative charged surface: 253.284	Volume: 321.25
Hydrophobic surface: 536.081	Hydrophilic surface: 33.194

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.