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MMsINC code: MMs02254765

Type: Ionized
Formula: C₁₅H₁₁O₃-

SMILES:

O=C(c1c(cccc1C)C(=O)[O-])c1ccccc1

InChI:

InChI=1/C15H12O3/c1-10-6-5-9-12(15(17)18)13(10)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)=66.4886 kcal/mol

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

Topological Properties
Globularity: 0.187947	Sterimol/B1: 2.35679	Sterimol/B2: 3.75665	Sterimol/B3: 4.61559
Sterimol/B4: 7.75471	Sterimol/L: 12.4383

Surface and Volume Properties
Accessible surface: 440.39	Positive charged surface: 211.747	Negative charged surface: 228.643	Volume: 230.25
Hydrophobic surface: 342.701	Hydrophilic surface: 97.689

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:

MMs02254764
NCID-ZINC01601904