MMsINC Database Search


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

MMsINC code: MMs02272288

Type: Neutral
Formula: C₁₉H₂₀O₅

SMILES:

O(C(=O)C)c1c(OC)cc(cc1OC)\C=C\c1ccc(OC)cc1

InChI:

InChI=1/C19H20O5/c1-13(20)24-19-17(22-3)11-15(12-18(19)23-4)6-5-14-7-9-16(21-2)10-8-14/h5-12H,1-4H3/b6-5+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=117.096 kcal/mol

Physical Properties
Molecular Weight: 328.364 g/mol	logS: -4.76372	SlogP: 3.8081	Reactive groups: 0

Topological Properties
Globularity: 0.0159116	Sterimol/B1: 2.81482	Sterimol/B2: 3.36361	Sterimol/B3: 5.66154
Sterimol/B4: 6.17786	Sterimol/L: 19.1964

Surface and Volume Properties
Accessible surface: 622.131	Positive charged surface: 433.174	Negative charged surface: 188.958	Volume: 318.875
Hydrophobic surface: 562.247	Hydrophilic surface: 59.884

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.