MMsINC Database Search


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

MMsINC code: MMs00058763

Type: Neutral
Formula: C₄H₈FNO₂

SMILES:

FC(CCN)C(O)=O

InChI:

InChI=1/C4H8FNO2/c5-3(1-2-6)4(7)8/h3H,1-2,6H2,(H,7,8)/t3-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=5.28012 kcal/mol

Physical Properties
Molecular Weight: 121.111 g/mol	logS: 0.1968	SlogP: 0.1778	Reactive groups: 0

Topological Properties
Globularity: 0.0951806	Sterimol/B1: 2.47403	Sterimol/B2: 2.71273	Sterimol/B3: 3.14024
Sterimol/B4: 3.24666	Sterimol/L: 10.2308

Surface and Volume Properties
Accessible surface: 285.889	Positive charged surface: 187.793	Negative charged surface: 98.0966	Volume: 106
Hydrophobic surface: 88.5938	Hydrophilic surface: 197.2952

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.