MMsINC Database Search


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MMsINC code: MMs02236197

Type: Ionized
Formula: C₁₅H₁₁O₄-

SMILES:

O(C)c1ccccc1C(=O)c1ccccc1C(=O)[O-]

InChI:

InChI=1/C15H12O4/c1-19-13-9-5-4-8-12(13)14(16)10-6-2-3-7-11(10)15(17)18/h2-9H,1H3,(H,17,18)/p-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=76.33 kcal/mol

Physical Properties
Molecular Weight: 255.249 g/mol	logS: -3.73792	SlogP: 1.2897	Reactive groups: 0

Topological Properties
Globularity: 0.201322	Sterimol/B1: 2.38744	Sterimol/B2: 4.17794	Sterimol/B3: 4.36911
Sterimol/B4: 7.35971	Sterimol/L: 12.5577

Surface and Volume Properties
Accessible surface: 443.361	Positive charged surface: 240.828	Negative charged surface: 202.532	Volume: 240
Hydrophobic surface: 353.252	Hydrophilic surface: 90.109

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	Acid groups: 2	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:

MMs02236196
NCID-ZINC01578053