MMsINC Database Search


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MMsINC code: MMs00154130

Type: Neutral
Formula: C₂₄H₁₆N₂O₂

SMILES:

o1c(cnc1-c1ccc(cc1)-c1oc(nc1)-c1ccccc1)-c1ccccc1

InChI:

InChI=1/C24H16N2O2/c1-3-7-17(8-4-1)21-15-26-24(27-21)20-13-11-18(12-14-20)22-16-25-23(28-22)19-9-5-2-6-10-19/h1-16H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=97.1931 kcal/mol

Physical Properties
Molecular Weight: 364.404 g/mol	logS: -9.17562	SlogP: 6.3306	Reactive groups: 0

Topological Properties
Globularity: 2.29273e-07	Sterimol/B1: 2.10128	Sterimol/B2: 2.10344	Sterimol/B3: 3.64384
Sterimol/B4: 5.10058	Sterimol/L: 22.8364

Surface and Volume Properties
Accessible surface: 654.51	Positive charged surface: 375.022	Negative charged surface: 279.488	Volume: 354.75
Hydrophobic surface: 604.954	Hydrophilic surface: 49.556

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.