MMsINC Database Search


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

MMsINC code: MMs00760014

Type: Neutral
Formula: C₂₄H₂₀O₆

SMILES:

O1c2c(-c3c(cc(OC)cc3)C1=O)ccc(OCc1ccc(cc1)C(OC)=O)c2C

InChI:

InChI=1/C24H20O6/c1-14-21(29-13-15-4-6-16(7-5-15)23(25)28-3)11-10-19-18-9-8-17(27-2)12-20(18)24(26)30-22(14)19/h4-12H,13H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=132.643 kcal/mol

Physical Properties
Molecular Weight: 404.418 g/mol	logS: -7.10242	SlogP: 4.83522	Reactive groups: 0

Topological Properties
Globularity: 0.0222785	Sterimol/B1: 2.63613	Sterimol/B2: 3.30933	Sterimol/B3: 4.00795
Sterimol/B4: 6.19629	Sterimol/L: 23.4276

Surface and Volume Properties
Accessible surface: 684.687	Positive charged surface: 439.834	Negative charged surface: 234.871	Volume: 377.125
Hydrophobic surface: 577.137	Hydrophilic surface: 107.55

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 4	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: 0	Oprea's lead like rule: 1

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.