MMsINC Database Search


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MMsINC code: MMs02269816

Type: Neutral
Formula: C₂₄H₁₆N₂O

SMILES:

o1c(c(nc1-c1nccc2c1cccc2)-c1ccccc1)-c1ccccc1

InChI:

InChI=1/C24H16N2O/c1-3-10-18(11-4-1)21-23(19-12-5-2-6-13-19)27-24(26-21)22-20-14-8-7-9-17(20)15-16-25-22/h1-16H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=119.084 kcal/mol

Physical Properties
Molecular Weight: 348.405 g/mol	logS: -8.26397	SlogP: 6.2238	Reactive groups: 0

Topological Properties
Globularity: 0.0703412	Sterimol/B1: 2.49087	Sterimol/B2: 3.23072	Sterimol/B3: 4.67558
Sterimol/B4: 8.77292	Sterimol/L: 15.5736

Surface and Volume Properties
Accessible surface: 606.114	Positive charged surface: 338.739	Negative charged surface: 258.178	Volume: 344.75
Hydrophobic surface: 564.371	Hydrophilic surface: 41.743

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: 0

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Ions/Tautomers related molecules: no related molecules available.