MMsINC Database Search


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MMsINC code: MMs03318031

Type: Neutral
Formula: C₂₂H₁₈N₂

SMILES:

n1(c(ccc1-c1ccccc1)-c1ccccc1)-c1ccc(N)cc1

InChI:

InChI=1/C22H18N2/c23-19-11-13-20(14-12-19)24-21(17-7-3-1-4-8-17)15-16-22(24)18-9-5-2-6-10-18/h1-16H,23H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=119.592 kcal/mol

Physical Properties
Molecular Weight: 310.4 g/mol	logS: -6.05721	SlogP: 5.3935	Reactive groups: 0

Topological Properties
Globularity: 0.0690716	Sterimol/B1: 3.29448	Sterimol/B2: 3.63708	Sterimol/B3: 4.98812
Sterimol/B4: 6.98768	Sterimol/L: 15.3068

Surface and Volume Properties
Accessible surface: 551.612	Positive charged surface: 311.284	Negative charged surface: 240.328	Volume: 321.75
Hydrophobic surface: 482.17	Hydrophilic surface: 69.442

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 0	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.