MMsINC Database Search


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

MMsINC code: MMs02217605

Type: Neutral
Formula: C₂₄H₂₀O₃

SMILES:

O1CCOc2c(-c3c4c(ccc3OCC1)cccc4)c1c(cc2)cccc1

InChI:

InChI=1/C24H20O3/c1-3-7-19-17(5-1)9-11-21-23(19)24-20-8-4-2-6-18(20)10-12-22(24)27-16-14-25-13-15-26-21/h1-12H,13-16H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=178.818 kcal/mol

Physical Properties
Molecular Weight: 356.421 g/mol	logS: -7.95926	SlogP: 5.4478	Reactive groups: 0

Topological Properties
Globularity: 0.12708	Sterimol/B1: 2.33142	Sterimol/B2: 3.00384	Sterimol/B3: 4.99219
Sterimol/B4: 9.53529	Sterimol/L: 12.9967

Surface and Volume Properties
Accessible surface: 558.299	Positive charged surface: 351.462	Negative charged surface: 188.794	Volume: 343.875
Hydrophobic surface: 542.495	Hydrophilic surface: 15.804

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	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.