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MMsINC code: MMs03029020

Type: Ionized
Formula: C₆H₄FO₇-3

SMILES:

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

InChI:

InChI=1/C6H7FO7/c7-3(4(10)11)6(14,5(12)13)1-2(8)9/h3,14H,1H2,(H,8,9)(H,10,11)(H,12,13)/p-3/t3-,6+/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=86.4555 kcal/mol

Physical Properties
Molecular Weight: 207.089 g/mol	logS: -0.36248	SlogP: -4.8847	Reactive groups: 1

Topological Properties
Globularity: 0.263311	Sterimol/B1: 2.38697	Sterimol/B2: 3.51197	Sterimol/B3: 3.58807
Sterimol/B4: 4.97519	Sterimol/L: 10.3954

Surface and Volume Properties
Accessible surface: 323.404	Positive charged surface: 92.4008	Negative charged surface: 231.003	Volume: 142.875
Hydrophobic surface: 43.4442	Hydrophilic surface: 279.9598

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	Acid groups: 6	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:

MMs03029019
PUBCHEM-ZINC03634659