MMsINC Database Search


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MMsINC code: MMs03343689

Type: Neutral
Formula: C₅H₉F₂NO₂

SMILES:

FC(F)C(C(N)C(O)=O)C

InChI:

InChI=1/C5H9F2NO2/c1-2(4(6)7)3(8)5(9)10/h2-4H,8H2,1H3,(H,9,10)/t2-,3-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=28.763 kcal/mol

Physical Properties
Molecular Weight: 153.128 g/mol	logS: -0.20939	SlogP: 0.7194	Reactive groups: 0

Topological Properties
Globularity: 0.400727	Sterimol/B1: 2.1144	Sterimol/B2: 3.17935	Sterimol/B3: 3.53165
Sterimol/B4: 4.78184	Sterimol/L: 9.07226

Surface and Volume Properties
Accessible surface: 297.595	Positive charged surface: 156.601	Negative charged surface: 140.994	Volume: 124.875
Hydrophobic surface: 77.3695	Hydrophilic surface: 220.2255

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 3	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

MMs03343690
PUBCHEM-ZINC05675078