MMsINC Database Search


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MMsINC code: MMs02552795

Type: Ionized
Formula: C₁₃H₈FO₂-

SMILES:

Fc1ccccc1-c1ccccc1C(=O)[O-]

InChI:

InChI=1/C13H9FO2/c14-12-8-4-3-6-10(12)9-5-1-2-7-11(9)13(15)16/h1-8H,(H,15,16)/p-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=55.6341 kcal/mol

Physical Properties
Molecular Weight: 215.203 g/mol	logS: -4.33609	SlogP: 1.8562	Reactive groups: 0

Topological Properties
Globularity: 0.147264	Sterimol/B1: 2.44158	Sterimol/B2: 3.32356	Sterimol/B3: 3.72934
Sterimol/B4: 6.65255	Sterimol/L: 12.2391

Surface and Volume Properties
Accessible surface: 401.076	Positive charged surface: 182.1	Negative charged surface: 218.15	Volume: 198.625
Hydrophobic surface: 326.808	Hydrophilic surface: 74.268

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

MMs02552794
OAKWOOD-ZINC04299204