MMsINC Database Search


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MMsINC code: MMs02718278

Type: Neutral
Formula: C₂₆H₂₀N₂O₂

SMILES:

O(Cc1ccc(cc1)COc1c2ncccc2ccc1)c1c2ncccc2ccc1

InChI:

InChI=1/C26H20N2O2/c1-5-21-7-3-15-27-25(21)23(9-1)29-17-19-11-13-20(14-12-19)18-30-24-10-2-6-22-8-4-16-28-26(22)24/h1-16H,17-18H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=142.331 kcal/mol

Physical Properties
Molecular Weight: 392.458 g/mol	logS: -6.19852	SlogP: 6.4738	Reactive groups: 0

Topological Properties
Globularity: 0.0162184	Sterimol/B1: 2.72257	Sterimol/B2: 3.6168	Sterimol/B3: 3.61972
Sterimol/B4: 7.45221	Sterimol/L: 21.7176

Surface and Volume Properties
Accessible surface: 706.69	Positive charged surface: 429.77	Negative charged surface: 265.849	Volume: 387.5
Hydrophobic surface: 655.209	Hydrophilic surface: 51.481

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 4	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.