MMsINC Database Search


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MMsINC code: MMs01870191

Type: Neutral
Formula: C₂₄H₁₆N₂O

SMILES:

Oc1ccccc1-c1nc2c(nc1-c1ccccc1)cc1c(c2)cccc1

InChI:

InChI=1/C24H16N2O/c27-22-13-7-6-12-19(22)24-23(16-8-2-1-3-9-16)25-20-14-17-10-4-5-11-18(17)15-21(20)26-24/h1-15,27H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=137.023 kcal/mol

Physical Properties
Molecular Weight: 348.405 g/mol	logS: -6.99037	SlogP: 5.8226	Reactive groups: 0

Topological Properties
Globularity: 0.0405119	Sterimol/B1: 2.80399	Sterimol/B2: 2.946	Sterimol/B3: 3.8851
Sterimol/B4: 8.40401	Sterimol/L: 15.6818

Surface and Volume Properties
Accessible surface: 589.31	Positive charged surface: 322.304	Negative charged surface: 251.53	Volume: 339.625
Hydrophobic surface: 517.089	Hydrophilic surface: 72.221

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.