MMsINC Database Search


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MMsINC code: MMs02354301

Type: Neutral
Formula: C₁₅H₁₀O₅

SMILES:

OC(=O)c1ccccc1C(=O)c1ccccc1C(O)=O

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=106.768 kcal/mol

Physical Properties
Molecular Weight: 270.24 g/mol	logS: -3.39649	SlogP: 2.314	Reactive groups: 0

Topological Properties
Globularity: 0.139333	Sterimol/B1: 2.83098	Sterimol/B2: 4.15155	Sterimol/B3: 4.38257
Sterimol/B4: 6.69156	Sterimol/L: 12.2068

Surface and Volume Properties
Accessible surface: 449.809	Positive charged surface: 247.534	Negative charged surface: 202.275	Volume: 235.625
Hydrophobic surface: 279.045	Hydrophilic surface: 170.764

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

MMs02354302
NCID-ZINC01731409