MMsINC Database Search


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

MMsINC code: MMs02285245

Type: Neutral
Formula: C₁₁H₁₄O₄

SMILES:

O(C)c1c(O)c(ccc1OC)C(=O)CC

InChI:

InChI=1/C11H14O4/c1-4-8(12)7-5-6-9(14-2)11(15-3)10(7)13/h5-6,13H,4H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=74.6657 kcal/mol

Physical Properties
Molecular Weight: 210.229 g/mol	logS: -1.63773	SlogP: 2.0021	Reactive groups: 0

Topological Properties
Globularity: 0.0430479	Sterimol/B1: 2.47452	Sterimol/B2: 2.91119	Sterimol/B3: 4.14281
Sterimol/B4: 4.82212	Sterimol/L: 13.0137

Surface and Volume Properties
Accessible surface: 422.79	Positive charged surface: 331.15	Negative charged surface: 91.6396	Volume: 205.125
Hydrophobic surface: 326.322	Hydrophilic surface: 96.468

Pharmacophoric Properties
Hydrogen bond donors: 1	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.