MMsINC Database Search


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MMsINC code: MMs03206873

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-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=25.946 kcal/mol

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

Topological Properties
Globularity: 0.174142	Sterimol/B1: 2.96942	Sterimol/B2: 3.01412	Sterimol/B3: 3.56356
Sterimol/B4: 4.07236	Sterimol/L: 9.77621

Surface and Volume Properties
Accessible surface: 326.757	Positive charged surface: 221.454	Negative charged surface: 105.303	Volume: 129.75
Hydrophobic surface: 101.478	Hydrophilic surface: 225.279

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

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Ions/Tautomers related molecules: no related molecules available.