MMsINC Database Search


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MMsINC code: MMs00910143

Type: Neutral
Formula: C₂₆H₁₈O₂

SMILES:

O(c1cc(Oc2c3c(ccc2)cccc3)ccc1)c1c2c(ccc1)cccc2

InChI:

InChI=1/C26H18O2/c1-3-14-23-19(8-1)10-5-16-25(23)27-21-12-7-13-22(18-21)28-26-17-6-11-20-9-2-4-15-24(20)26/h1-18H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=121.132 kcal/mol

Physical Properties
Molecular Weight: 362.428 g/mol	logS: -8.70606	SlogP: 7.5776	Reactive groups: 0

Topological Properties
Globularity: 0.114928	Sterimol/B1: 2.82763	Sterimol/B2: 3.24668	Sterimol/B3: 5.4084
Sterimol/B4: 6.51981	Sterimol/L: 17.9562

Surface and Volume Properties
Accessible surface: 634.14	Positive charged surface: 330.793	Negative charged surface: 281.056	Volume: 363.5
Hydrophobic surface: 634.14	Hydrophilic surface: 0

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