MMsINC Database Search


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

MMsINC code: MMs00592048

Type: Neutral
Formula: C₂₀H₂₄O₅

SMILES:

O(C)c1c(OC)cc(cc1OC)C(Oc1ccccc1C(C)(C)C)=O

InChI:

InChI=1/C20H24O5/c1-20(2,3)14-9-7-8-10-15(14)25-19(21)13-11-16(22-4)18(24-6)17(12-13)23-5/h7-12H,1-6H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=143.866 kcal/mol

Physical Properties
Molecular Weight: 344.407 g/mol	logS: -5.35621	SlogP: 4.2291	Reactive groups: 0

Topological Properties
Globularity: 0.152326	Sterimol/B1: 2.62735	Sterimol/B2: 5.14583	Sterimol/B3: 6.18652
Sterimol/B4: 6.78584	Sterimol/L: 15.8545

Surface and Volume Properties
Accessible surface: 607.96	Positive charged surface: 449.822	Negative charged surface: 158.138	Volume: 343.125
Hydrophobic surface: 527.272	Hydrophilic surface: 80.688

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.