MMsINC Database Search


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MMsINC code: MMs02542819

Type: Neutral
Formula: C₁₈H₁₆O₇

SMILES:

O1c2c(C(=O)C(OC)=C1c1ccc(OC)cc1)c(O)c(OC)c(O)c2

InChI:

InChI=1/C18H16O7/c1-22-10-6-4-9(5-7-10)16-18(24-3)15(21)13-12(25-16)8-11(19)17(23-2)14(13)20/h4-8,19-20H,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=127.35 kcal/mol

Physical Properties
Molecular Weight: 344.319 g/mol	logS: -4.01176	SlogP: 2.7053	Reactive groups: 1

Topological Properties
Globularity: 0.0519315	Sterimol/B1: 2.44905	Sterimol/B2: 3.73144	Sterimol/B3: 4.32654
Sterimol/B4: 5.87823	Sterimol/L: 18.3105

Surface and Volume Properties
Accessible surface: 569.714	Positive charged surface: 418.53	Negative charged surface: 151.184	Volume: 306.375
Hydrophobic surface: 437.682	Hydrophilic surface: 132.032

Pharmacophoric Properties
Hydrogen bond donors: 2	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.