MMsINC Database Search


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MMsINC code: MMs02553405

Type: Neutral
Formula: C₁₉H₁₈O₇

SMILES:

O1C=C(c2cc(OC)c(OC)cc2OC)C(=O)c2c1cc(OC)cc2O

InChI:

InChI=1/C19H18O7/c1-22-10-5-13(20)18-17(6-10)26-9-12(19(18)21)11-7-15(24-3)16(25-4)8-14(11)23-2/h5-9,20H,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=129.817 kcal/mol

Physical Properties
Molecular Weight: 358.346 g/mol	logS: -4.09885	SlogP: 3.0428	Reactive groups: 1

Topological Properties
Globularity: 0.0609381	Sterimol/B1: 3.83889	Sterimol/B2: 4.05932	Sterimol/B3: 5.42115
Sterimol/B4: 6.14475	Sterimol/L: 18.4909

Surface and Volume Properties
Accessible surface: 605.859	Positive charged surface: 468.299	Negative charged surface: 137.56	Volume: 322.625
Hydrophobic surface: 508.061	Hydrophilic surface: 97.798

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 6	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.