MMsINC Database Search


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MMsINC code: MMs02236200

Type: Ionized
Formula: C₁₅H₁₁O₄-

SMILES:

O(C)c1cc(ccc1)C(=O)c1ccccc1C(=O)[O-]

InChI:

InChI=1/C15H12O4/c1-19-11-6-4-5-10(9-11)14(16)12-7-2-3-8-13(12)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)=69.7503 kcal/mol

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

Topological Properties
Globularity: 0.0921213	Sterimol/B1: 3.87238	Sterimol/B2: 3.95347	Sterimol/B3: 4.0079
Sterimol/B4: 4.73559	Sterimol/L: 14.6884

Surface and Volume Properties
Accessible surface: 461.078	Positive charged surface: 253.44	Negative charged surface: 207.638	Volume: 238.875
Hydrophobic surface: 353.315	Hydrophilic surface: 107.763

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:

MMs02236199
NCID-ZINC01578055