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MMsINC code: MMs03384476

Type: Neutral
Formula: C₁₅H₁₂O₁₀

SMILES:

Oc1c(Cc2c(O)c(O)c(O)cc2C(O)=O)c(cc(O)c1O)C(O)=O

InChI:

InChI=1/C15H12O10/c16-8-2-6(14(22)23)4(10(18)12(8)20)1-5-7(15(24)25)3-9(17)13(21)11(5)19/h2-3,16-21H,1H2,(H,22,23)(H,24,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=125.795 kcal/mol

Physical Properties
Molecular Weight: 352.251 g/mol	logS: -0.95491	SlogP: 0.90737	Reactive groups: 0

Topological Properties
Globularity: 0.262387	Sterimol/B1: 3.73383	Sterimol/B2: 4.54544	Sterimol/B3: 4.73566
Sterimol/B4: 5.97281	Sterimol/L: 12.6744

Surface and Volume Properties
Accessible surface: 508.484	Positive charged surface: 320.386	Negative charged surface: 188.098	Volume: 273.375
Hydrophobic surface: 138.321	Hydrophilic surface: 370.163

Pharmacophoric Properties
Hydrogen bond donors: 10	Hydrogen bond acceptors: 10	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: 1	Oprea's lead like rule: 0

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Ions/Tautomers related molecules

MMs03384477
PUBCHEM-ZINC05783811