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MMsINC code: MMs00827702

Type: Neutral
Formula: C₁₉H₁₉NO₇

SMILES:

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

InChI:

InChI=1/C19H19NO7/c1-25-15-9-12(10-16(26-2)17(15)27-3)18(22)20-14(19(23)24)8-11-4-6-13(21)7-5-11/h4-10,21H,1-3H3,(H,20,22)(H,23,24)/b14-8-

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=148.477 kcal/mol

Physical Properties
Molecular Weight: 373.361 g/mol	logS: -3.65531	SlogP: 2.2735	Reactive groups: 0

Topological Properties
Globularity: 0.190883	Sterimol/B1: 2.16621	Sterimol/B2: 4.06294	Sterimol/B3: 6.69708
Sterimol/B4: 7.13178	Sterimol/L: 15.268

Surface and Volume Properties
Accessible surface: 621.689	Positive charged surface: 438.159	Negative charged surface: 183.53	Volume: 336.875
Hydrophobic surface: 434.75	Hydrophilic surface: 186.939

Pharmacophoric Properties
Hydrogen bond donors: 4	Hydrogen bond acceptors: 7	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

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Ions/Tautomers related molecules

MMs00827703
CHEMBRIDGE-ZINC05019795