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MMsINC code: MMs02863345

Type: Ionized
Formula: C₈H₁₀F₃N₂O₄-

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)/p-1/t4-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=46.9602 kcal/mol

Physical Properties
Molecular Weight: 255.172 g/mol	logS: -1.35865	SlogP: -1.2705	Reactive groups: 0

Topological Properties
Globularity: 0.0801423	Sterimol/B1: 2.62643	Sterimol/B2: 3.38404	Sterimol/B3: 4.1412
Sterimol/B4: 5.98961	Sterimol/L: 11.9319

Surface and Volume Properties
Accessible surface: 433.31	Positive charged surface: 211.57	Negative charged surface: 221.74	Volume: 193.75
Hydrophobic surface: 148.312	Hydrophilic surface: 284.998

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	Acid groups: 2	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

search links for this molecule:

Parent related molecule:

MMs02863344
PUBCHEM-ZINC02041986