MMsINC Database Search


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MMsINC code: MMs03255928

Type: Neutral
Formula: C₂₄H₁₆N₂O

SMILES:

Oc1ccc2c(cccc2)c1\C=N\c1c2c(nc3c1cccc3)cccc2

InChI:

InChI=1/C24H16N2O/c27-23-14-13-16-7-1-2-8-17(16)20(23)15-25-24-18-9-3-5-11-21(18)26-22-12-6-4-10-19(22)24/h1-15,27H/b25-15+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=118.558 kcal/mol

Physical Properties
Molecular Weight: 348.405 g/mol	logS: -7.26077	SlogP: 5.9974	Reactive groups: 0

Topological Properties
Globularity: 0.17114	Sterimol/B1: 3.06807	Sterimol/B2: 5.94677	Sterimol/B3: 6.12771
Sterimol/B4: 7.01799	Sterimol/L: 14.8415

Surface and Volume Properties
Accessible surface: 594.355	Positive charged surface: 310.065	Negative charged surface: 264.779	Volume: 340.25
Hydrophobic surface: 534.447	Hydrophilic surface: 59.908

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.