MMsINC Database Search


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MMsINC code: MMs02287674

Type: Neutral
Formula: C₁₉H₁₆O₈

SMILES:

O1c2c(C(=O)C(OC)=C1c1cc3OCOc3cc1)c(O)c(OC)c(OC)c2

InChI:

InChI=1/C19H16O8/c1-22-13-7-12-14(15(20)18(13)23-2)16(21)19(24-3)17(27-12)9-4-5-10-11(6-9)26-8-25-10/h4-7,20H,8H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=136.921 kcal/mol

Physical Properties
Molecular Weight: 372.329 g/mol	logS: -4.32881	SlogP: 2.7284	Reactive groups: 1

Topological Properties
Globularity: 0.0423143	Sterimol/B1: 2.12499	Sterimol/B2: 3.06252	Sterimol/B3: 3.64761
Sterimol/B4: 8.36107	Sterimol/L: 17.6873

Surface and Volume Properties
Accessible surface: 602.978	Positive charged surface: 462.275	Negative charged surface: 140.703	Volume: 322
Hydrophobic surface: 465.176	Hydrophilic surface: 137.802

Pharmacophoric Properties
Hydrogen bond donors: 1	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: no related molecules available.