MMsINC Database Search


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MMsINC code: MMs02339042

Type: Ionized
Formula: C₁₅H₁₁O₃-

SMILES:

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

InChI:

InChI=1/C15H12O3/c1-10-7-8-12(13(9-10)15(17)18)14(16)11-5-3-2-4-6-11/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)=63.9027 kcal/mol

Physical Properties
Molecular Weight: 239.25 g/mol	logS: -4.16146	SlogP: 1.58952	Reactive groups: 0

Topological Properties
Globularity: 0.115059	Sterimol/B1: 3.15252	Sterimol/B2: 3.80931	Sterimol/B3: 4.72562
Sterimol/B4: 4.78057	Sterimol/L: 13.5677

Surface and Volume Properties
Accessible surface: 444.192	Positive charged surface: 219.326	Negative charged surface: 224.866	Volume: 229.625
Hydrophobic surface: 346.896	Hydrophilic surface: 97.296

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	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:

MMs02339041
NCID-ZINC01712280