MMsINC Database Search


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MMsINC code: MMs00495645

Type: Neutral
Formula: C₂₄H₁₆N₂O

SMILES:

Oc1cc(ccc1)-c1nc2c(c3c(nccc3)cc2)c(c1)-c1ccccc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=157.875 kcal/mol

Physical Properties
Molecular Weight: 348.405 g/mol	logS: -7.02157	SlogP: 5.8226	Reactive groups: 0

Topological Properties
Globularity: 0.0406233	Sterimol/B1: 2.22739	Sterimol/B2: 3.55682	Sterimol/B3: 3.59544
Sterimol/B4: 9.62359	Sterimol/L: 15.6487

Surface and Volume Properties
Accessible surface: 586.57	Positive charged surface: 340.9	Negative charged surface: 230.769	Volume: 338.125
Hydrophobic surface: 492.685	Hydrophilic surface: 93.885

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.