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MMsINC code: MMs02236730

Type: Ionized
Formula: C₁₅H₈O₅-2

SMILES:

O=C(c1ccc(cc1C(=O)[O-])C(=O)[O-])c1ccccc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=78.3471 kcal/mol

Physical Properties
Molecular Weight: 268.224 g/mol	logS: -3.91739	SlogP: -0.3554	Reactive groups: 0

Topological Properties
Globularity: 0.123042	Sterimol/B1: 2.78306	Sterimol/B2: 3.69395	Sterimol/B3: 4.92406
Sterimol/B4: 5.20342	Sterimol/L: 13.9774

Surface and Volume Properties
Accessible surface: 447.853	Positive charged surface: 180.365	Negative charged surface: 267.488	Volume: 236.875
Hydrophobic surface: 260.549	Hydrophilic surface: 187.304

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	Acid groups: 4	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

search links for this molecule:

Parent related molecule:

MMs02236729
NCID-ZINC01578779