MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs03206677

Type: Neutral
Formula: C₅H₁₀FNO₃

SMILES:

FC(CC(N)C(O)=O)CO

InChI:

InChI=1/C5H10FNO3/c6-3(2-8)1-4(7)5(9)10/h3-4,8H,1-2,7H2,(H,9,10)/t3-,4-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=29.3769 kcal/mol

Physical Properties
Molecular Weight: 151.137 g/mol	logS: 0.39934	SlogP: -0.4613	Reactive groups: 0

Topological Properties
Globularity: 0.133785	Sterimol/B1: 2.65149	Sterimol/B2: 3.12564	Sterimol/B3: 3.47905
Sterimol/B4: 4.01242	Sterimol/L: 9.70431

Surface and Volume Properties
Accessible surface: 321.451	Positive charged surface: 212.275	Negative charged surface: 109.176	Volume: 130
Hydrophobic surface: 98.6498	Hydrophilic surface: 222.8012

Pharmacophoric Properties
Hydrogen bond donors: 4	Hydrogen bond acceptors: 4	Acid groups: 0	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:

Ions/Tautomers related molecules: no related molecules available.