MMsINC Database Search


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MMsINC code: MMs02091762

Type: Neutral
Formula: C₁₅H₁₀O₅

SMILES:

O1c2c(C(=O)C=C1c1ccccc1)c(O)cc(O)c2O

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=85.9308 kcal/mol

Physical Properties
Molecular Weight: 270.24 g/mol	logS: -3.46264	SlogP: 2.4196	Reactive groups: 1

Topological Properties
Globularity: 0.00523716	Sterimol/B1: 2.12137	Sterimol/B2: 2.34736	Sterimol/B3: 3.93327
Sterimol/B4: 5.52116	Sterimol/L: 14.1916

Surface and Volume Properties
Accessible surface: 467.363	Positive charged surface: 262.725	Negative charged surface: 204.638	Volume: 236.125
Hydrophobic surface: 294.02	Hydrophilic surface: 173.343

Pharmacophoric Properties
Hydrogen bond donors: 3	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.