MMsINC Database Search


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MMsINC code: MMs03081390

Type: Neutral
Formula: C₁₅H₁₀O₅

SMILES:

O1C=C(C(O)=C2C1=CC(=O)C=C2O)c1ccc(O)cc1

InChI:

InChI=1/C15H10O5/c16-9-3-1-8(2-4-9)11-7-20-13-6-10(17)5-12(18)14(13)15(11)19/h1-7,16,18-19H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=84.7448 kcal/mol

Physical Properties
Molecular Weight: 270.24 g/mol	logS: -3.18951	SlogP: 2.4839	Reactive groups: 1

Topological Properties
Globularity: 0.0515178	Sterimol/B1: 2.27615	Sterimol/B2: 3.19247	Sterimol/B3: 4.18687
Sterimol/B4: 5.35011	Sterimol/L: 15.3532

Surface and Volume Properties
Accessible surface: 462.704	Positive charged surface: 249.192	Negative charged surface: 207.824	Volume: 235.25
Hydrophobic surface: 295.808	Hydrophilic surface: 166.896

Pharmacophoric Properties
Hydrogen bond donors: 4	Hydrogen bond acceptors: 4	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.