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MMsINC code: MMs03202037

Type: Neutral
Formula: C₆H₁₀FNO₄

SMILES:

FCC(N)(CCC(O)=O)C(O)=O

InChI:

InChI=1/C6H10FNO4/c7-3-6(8,5(11)12)2-1-4(9)10/h1-3,8H2,(H,9,10)(H,11,12)/t6-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=25.4293 kcal/mol

Physical Properties
Molecular Weight: 179.147 g/mol	logS: 0.31904	SlogP: -0.3972	Reactive groups: 1

Topological Properties
Globularity: 0.184561	Sterimol/B1: 3.2317	Sterimol/B2: 3.3015	Sterimol/B3: 3.6932
Sterimol/B4: 3.79951	Sterimol/L: 11.4226

Surface and Volume Properties
Accessible surface: 338.3	Positive charged surface: 207.626	Negative charged surface: 130.674	Volume: 146.625
Hydrophobic surface: 85.2532	Hydrophilic surface: 253.0468

Pharmacophoric Properties
Hydrogen bond donors: 5	Hydrogen bond acceptors: 5	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

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Ions/Tautomers related molecules

MMs03202038
PUBCHEM-ZINC05113952