MMsINC Database Search


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MMsINC code: MMs03071085

Type: Ionized
Formula: C₁₆H₈F₂NO₂-

SMILES:

Fc1cc(F)cc2c1nc(cc2C(=O)[O-])-c1ccccc1

InChI:

InChI=1/C16H9F2NO2/c17-10-6-11-12(16(20)21)8-14(9-4-2-1-3-5-9)19-15(11)13(18)7-10/h1-8H,(H,20,21)/p-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=64.0226 kcal/mol

Physical Properties
Molecular Weight: 284.241 g/mol	logS: -5.18841	SlogP: 2.5435	Reactive groups: 0

Topological Properties
Globularity: 0.0175898	Sterimol/B1: 2.55842	Sterimol/B2: 2.87976	Sterimol/B3: 4.24977
Sterimol/B4: 5.99597	Sterimol/L: 14.5628

Surface and Volume Properties
Accessible surface: 467.792	Positive charged surface: 192.12	Negative charged surface: 265.27	Volume: 242.875
Hydrophobic surface: 369.046	Hydrophilic surface: 98.746

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:

MMs03071084
PUBCHEM-ZINC03756393