MMsINC Database Search


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MMsINC code: MMs02366509

Type: Neutral
Formula: C₂₆H₁₈O

SMILES:

o1c(c2c(cccc2-c2ccccc2)c1-c1ccccc1)-c1ccccc1

InChI:

InChI=1/C26H18O/c1-4-11-19(12-5-1)22-17-10-18-23-24(22)26(21-15-8-3-9-16-21)27-25(23)20-13-6-2-7-14-20/h1-18H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=128.344 kcal/mol

Physical Properties
Molecular Weight: 346.429 g/mol	logS: -10.0781	SlogP: 7.4338	Reactive groups: 0

Topological Properties
Globularity: 0.0735534	Sterimol/B1: 3.19447	Sterimol/B2: 3.45228	Sterimol/B3: 4.86401
Sterimol/B4: 6.50285	Sterimol/L: 16.5521

Surface and Volume Properties
Accessible surface: 587.269	Positive charged surface: 335.173	Negative charged surface: 240.805	Volume: 356.125
Hydrophobic surface: 582.616	Hydrophilic surface: 4.653

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.