MMsINC Database Search


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MMsINC code: MMs03912933

Type: Neutral
Formula: C₁₅H₁₀O₅

SMILES:

O1C=C(Oc2ccccc2)C(=O)c2c1c(O)c(O)cc2

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=89.36 kcal/mol

Physical Properties
Molecular Weight: 270.24 g/mol	logS: -3.57663	SlogP: 2.5933	Reactive groups: 1

Topological Properties
Globularity: 0.0628675	Sterimol/B1: 3.59775	Sterimol/B2: 3.59905	Sterimol/B3: 3.71916
Sterimol/B4: 5.38242	Sterimol/L: 14.7403

Surface and Volume Properties
Accessible surface: 473.357	Positive charged surface: 259.678	Negative charged surface: 213.679	Volume: 237.625
Hydrophobic surface: 336.319	Hydrophilic surface: 137.038

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	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.