MMsINC Database Search


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MMsINC code: MMs00924183

Type: Neutral
Formula: C₂₃H₂₀N₂

SMILES:

n1(c(ccc1C)-c1ccccc1)-c1ccc(Nc2ccccc2)cc1

InChI:

InChI=1/C23H20N2/c1-18-12-17-23(19-8-4-2-5-9-19)25(18)22-15-13-21(14-16-22)24-20-10-6-3-7-11-20/h2-17,24H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=122.45 kcal/mol

Physical Properties
Molecular Weight: 324.427 g/mol	logS: -5.87486	SlogP: 6.19632	Reactive groups: 0

Topological Properties
Globularity: 0.0505054	Sterimol/B1: 2.36933	Sterimol/B2: 3.33119	Sterimol/B3: 3.74872
Sterimol/B4: 9.70959	Sterimol/L: 16.2118

Surface and Volume Properties
Accessible surface: 596.512	Positive charged surface: 335.498	Negative charged surface: 261.013	Volume: 339.125
Hydrophobic surface: 569.945	Hydrophilic surface: 26.567

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.