MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs00735658

Type: Neutral
Formula: C₂₄H₂₂O₂

SMILES:

O(CCCCOc1c2c(ccc1)cccc2)c1c2c(ccc1)cccc2

InChI:

InChI=1/C24H22O2/c1-3-13-21-19(9-1)11-7-15-23(21)25-17-5-6-18-26-24-16-8-12-20-10-2-4-14-22(20)24/h1-4,7-16H,5-6,17-18H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=98.8354 kcal/mol

Physical Properties
Molecular Weight: 342.438 g/mol	logS: -7.43928	SlogP: 6.231	Reactive groups: 0

Topological Properties
Globularity: 0.00438481	Sterimol/B1: 2.37112	Sterimol/B2: 2.38331	Sterimol/B3: 3.54113
Sterimol/B4: 6.65442	Sterimol/L: 20.653

Surface and Volume Properties
Accessible surface: 661.841	Positive charged surface: 379.764	Negative charged surface: 259.934	Volume: 355.625
Hydrophobic surface: 657.765	Hydrophilic surface: 4.076

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: 1

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.