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MMsINC code: MMs02863344

Type: Neutral
Formula: C₈H₁₁F₃N₂O₄

SMILES:

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

InChI:

InChI=1/C8H11F3N2O4/c1-12-5(14)3-2-4(6(15)16)13-7(17)8(9,10)11/h4H,2-3H2,1H3,(H,12,14)(H,13,17)(H,15,16)/t4-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=53.4654 kcal/mol

Physical Properties
Molecular Weight: 256.18 g/mol	logS: -1.0982	SlogP: 0.0642	Reactive groups: 0

Topological Properties
Globularity: 0.0664297	Sterimol/B1: 2.835	Sterimol/B2: 3.30935	Sterimol/B3: 4.17099
Sterimol/B4: 5.87217	Sterimol/L: 12.8085

Surface and Volume Properties
Accessible surface: 439.97	Positive charged surface: 243.111	Negative charged surface: 196.859	Volume: 197.25
Hydrophobic surface: 150.923	Hydrophilic surface: 289.047

Pharmacophoric Properties
Hydrogen bond donors: 4	Hydrogen bond acceptors: 4	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

MMs02863345
PUBCHEM-ZINC02041986