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MMsINC code: MMs02254767

Type: Ionized
Formula: C₁₅H₁₁O₃-

SMILES:

O=C(c1cccc(C)c1C(=O)[O-])c1ccccc1

InChI:

InChI=1/C15H12O3/c1-10-6-5-9-12(13(10)15(17)18)14(16)11-7-3-2-4-8-11/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)=66.4275 kcal/mol

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

Topological Properties
Globularity: 0.134737	Sterimol/B1: 2.42793	Sterimol/B2: 3.84602	Sterimol/B3: 4.1016
Sterimol/B4: 6.33768	Sterimol/L: 12.4521

Surface and Volume Properties
Accessible surface: 435.352	Positive charged surface: 211.928	Negative charged surface: 223.424	Volume: 231.125
Hydrophobic surface: 348.286	Hydrophilic surface: 87.066

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:

MMs02254766
NCID-ZINC01601905