MMsINC Database Search


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MMsINC code: MMs02229332

Type: Ionized
Formula: C₄H₆FN₂O₃-

SMILES:

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

InChI:

InChI=1/C4H7FN2O3/c5-1(3(7)8)2(6)4(9)10/h1-2H,6H2,(H2,7,8)(H,9,10)/p-1/t1-,2+/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=33.8441 kcal/mol

Physical Properties
Molecular Weight: 149.101 g/mol	logS: -0.14044	SlogP: -2.6931	Reactive groups: 1

Topological Properties
Globularity: 0.166259	Sterimol/B1: 2.57633	Sterimol/B2: 3.44202	Sterimol/B3: 3.45958
Sterimol/B4: 3.74408	Sterimol/L: 8.98765

Surface and Volume Properties
Accessible surface: 289.417	Positive charged surface: 144.221	Negative charged surface: 145.197	Volume: 113.625
Hydrophobic surface: 33.4056	Hydrophilic surface: 256.0114

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	Acid groups: 2	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:

MMs02229331
NCID-ZINC01568477