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MMsINC code: MMs03364267

Type: Neutral
Formula: C₇H₁₀F₃NO₃

SMILES:

FC(F)(F)C(=O)NC(C(C)C)C(O)=O

InChI:

InChI=1/C7H10F3NO3/c1-3(2)4(5(12)13)11-6(14)7(8,9)10/h3-4H,1-2H3,(H,11,14)(H,12,13)/t4-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=67.3741 kcal/mol

Physical Properties
Molecular Weight: 213.155 g/mol	logS: -1.57269	SlogP: 1.194	Reactive groups: 0

Topological Properties
Globularity: 0.11651	Sterimol/B1: 2.1458	Sterimol/B2: 2.9908	Sterimol/B3: 3.21748
Sterimol/B4: 6.58698	Sterimol/L: 10.9383

Surface and Volume Properties
Accessible surface: 368.699	Positive charged surface: 167.696	Negative charged surface: 201.003	Volume: 165.125
Hydrophobic surface: 105.983	Hydrophilic surface: 262.716

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

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Ions/Tautomers related molecules

MMs03364268
PUBCHEM-ZINC05733390