MMsINC Database Search


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MMsINC code: MMs00022563

Type: Neutral
Formula: C₂₆H₂₀N₂O₂

SMILES:

o1c(-c2ccccc2)c(nc1-c1ccc(cc1)-c1oc(-c2ccccc2)c(n1)C)C

InChI:

InChI=1/C26H20N2O2/c1-17-23(19-9-5-3-6-10-19)29-25(27-17)21-13-15-22(16-14-21)26-28-18(2)24(30-26)20-11-7-4-8-12-20/h3-16H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=105.971 kcal/mol

Physical Properties
Molecular Weight: 392.458 g/mol	logS: -9.8024	SlogP: 6.94744	Reactive groups: 0

Topological Properties
Globularity: 0.0152083	Sterimol/B1: 2.38895	Sterimol/B2: 2.50819	Sterimol/B3: 3.45456
Sterimol/B4: 7.46889	Sterimol/L: 21.4913

Surface and Volume Properties
Accessible surface: 715.096	Positive charged surface: 414.737	Negative charged surface: 300.359	Volume: 391.625
Hydrophobic surface: 664.253	Hydrophilic surface: 50.843

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.