MMsINC Database Search


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

MMsINC code: MMs00650743

Type: Neutral
Formula: C₁₉H₁₉NO₇

SMILES:

O(C)c1cc(ccc1OC)C(=O)Nc1cc(ccc1C(OC)=O)C(OC)=O

InChI:

InChI=1/C19H19NO7/c1-24-15-8-6-11(10-16(15)25-2)17(21)20-14-9-12(18(22)26-3)5-7-13(14)19(23)27-4/h5-10H,1-4H3,(H,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=122.699 kcal/mol

Physical Properties
Molecular Weight: 373.361 g/mol	logS: -4.21909	SlogP: 2.5293	Reactive groups: 0

Topological Properties
Globularity: 0.0302691	Sterimol/B1: 2.47682	Sterimol/B2: 4.34718	Sterimol/B3: 6.80306
Sterimol/B4: 6.89592	Sterimol/L: 18.0815

Surface and Volume Properties
Accessible surface: 639.783	Positive charged surface: 487.056	Negative charged surface: 152.727	Volume: 337.875
Hydrophobic surface: 529.135	Hydrophilic surface: 110.648

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 5	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.