MMsINC Database Search


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MMsINC code: MMs02521106

Type: Neutral
Formula: C₁₅H₁₀O₆

SMILES:

Oc1ccc(cc1)C(=O)c1cc(C(O)=O)c(cc1)C(O)=O

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=86.2369 kcal/mol

Physical Properties
Molecular Weight: 286.239 g/mol	logS: -3.03454	SlogP: 2.0196	Reactive groups: 0

Topological Properties
Globularity: 0.0309969	Sterimol/B1: 2.67264	Sterimol/B2: 3.37032	Sterimol/B3: 3.44321
Sterimol/B4: 6.54244	Sterimol/L: 14.9279

Surface and Volume Properties
Accessible surface: 477.902	Positive charged surface: 256.77	Negative charged surface: 221.132	Volume: 244.25
Hydrophobic surface: 224.265	Hydrophilic surface: 253.637

Pharmacophoric Properties
Hydrogen bond donors: 5	Hydrogen bond acceptors: 6	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

MMs02521107
NIH-ZINC00284514