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MMsINC code: MMs03525373

Type: Ionized
Formula: C₄H₃FO₅-2

SMILES:

FC(C(O)C(=O)[O-])C(=O)[O-]

InChI:

InChI=1/C4H5FO5/c5-1(3(7)8)2(6)4(9)10/h1-2,6H,(H,7,8)(H,9,10)/p-2/t1-,2+/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=52.3319 kcal/mol

Physical Properties
Molecular Weight: 150.061 g/mol	logS: -0.22427	SlogP: -3.3949	Reactive groups: 1

Topological Properties
Globularity: 0.233849	Sterimol/B1: 2.62833	Sterimol/B2: 3.22671	Sterimol/B3: 3.41976
Sterimol/B4: 3.55051	Sterimol/L: 8.90695

Surface and Volume Properties
Accessible surface: 274.654	Positive charged surface: 89.848	Negative charged surface: 184.806	Volume: 101.375
Hydrophobic surface: 37.1513	Hydrophilic surface: 237.5027

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	Acid groups: 4	Basic groups: 0
Chiral centers: 2

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

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Parent related molecule:

MMs03525372
PUBCHEM-ZINC06072526