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MMsINC code: MMs02376734

Type: Ionized
Formula: C₄H₄FNO₄-2

SMILES:

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

InChI:

InChI=1/C4H6FNO4/c5-1(3(7)8)2(6)4(9)10/h1-2H,6H2,(H,7,8)(H,9,10)/p-2/t1-,2+/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=64.5545 kcal/mol

Physical Properties
Molecular Weight: 149.077 g/mol	logS: -0.11817	SlogP: -3.4285	Reactive groups: 1

Topological Properties
Globularity: 0.132339	Sterimol/B1: 2.54404	Sterimol/B2: 2.83144	Sterimol/B3: 3.26206
Sterimol/B4: 3.66872	Sterimol/L: 9.62863

Surface and Volume Properties
Accessible surface: 278.684	Positive charged surface: 105.831	Negative charged surface: 172.853	Volume: 108
Hydrophobic surface: 32.6425	Hydrophilic surface: 246.0415

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

search links for this molecule:

Parent related molecule:

MMs02376733
NCID-ZINC01872252