MMsINC Database Search


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MMsINC code: MMs02091158

Type: Neutral
Formula: C₁₅H₁₀O₆

SMILES:

O1c2c(cc(O)cc2)C(=O)C(O)=C1c1cc(O)c(O)cc1

InChI:

InChI=1/C15H10O6/c16-8-2-4-12-9(6-8)13(19)14(20)15(21-12)7-1-3-10(17)11(18)5-7/h1-6,16-18,20H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=90.5244 kcal/mol

Physical Properties
Molecular Weight: 286.239 g/mol	logS: -3.13672	SlogP: 2.3053	Reactive groups: 1

Topological Properties
Globularity: 0.0379949	Sterimol/B1: 2.15952	Sterimol/B2: 3.54269	Sterimol/B3: 3.83056
Sterimol/B4: 5.2714	Sterimol/L: 15.3891

Surface and Volume Properties
Accessible surface: 486.442	Positive charged surface: 286.156	Negative charged surface: 200.286	Volume: 242.375
Hydrophobic surface: 259.695	Hydrophilic surface: 226.747

Pharmacophoric Properties
Hydrogen bond donors: 4	Hydrogen bond acceptors: 5	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.