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MMsINC code: MMs03854215

Type: Ionized
Formula: C₁₁H₁₈F₂NO₄-

SMILES:

FC(F)(C(O)(O)C(N)CC1CCCCC1)C(=O)[O-]

InChI:

InChI=1/C11H19F2NO4/c12-10(13,9(15)16)11(17,18)8(14)6-7-4-2-1-3-5-7/h7-8,17-18H,1-6,14H2,(H,15,16)/p-1/t8-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=59.5341 kcal/mol

Physical Properties
Molecular Weight: 266.264 g/mol	logS: -2.89545	SlogP: -0.2299	Reactive groups: 0

Topological Properties
Globularity: 0.102627	Sterimol/B1: 2.65465	Sterimol/B2: 3.48443	Sterimol/B3: 4.02023
Sterimol/B4: 4.2947	Sterimol/L: 14.594

Surface and Volume Properties
Accessible surface: 448.146	Positive charged surface: 268.683	Negative charged surface: 179.463	Volume: 229.875
Hydrophobic surface: 229.034	Hydrophilic surface: 219.112

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

MMs03854214
PUBCHEM-ZINC06760945