MMsINC Database Search


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MMsINC code: MMs00283822

Type: Neutral
Formula: C₂₆H₂₀O₂

SMILES:

O1c2c(C=CC1(c1ccccc1)c1ccccc1)c1cc(OC)ccc1cc2

InChI:

InChI=1/C26H20O2/c1-27-22-14-12-19-13-15-25-23(24(19)18-22)16-17-26(28-25,20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-18H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=136.64 kcal/mol

Physical Properties
Molecular Weight: 364.444 g/mol	logS: -7.52754	SlogP: 6.5093	Reactive groups: 0

Topological Properties
Globularity: 0.183567	Sterimol/B1: 2.48782	Sterimol/B2: 3.4589	Sterimol/B3: 6.64337
Sterimol/B4: 6.99874	Sterimol/L: 17.0531

Surface and Volume Properties
Accessible surface: 616.855	Positive charged surface: 360.783	Negative charged surface: 245.589	Volume: 365.5
Hydrophobic surface: 600.639	Hydrophilic surface: 16.216

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.