MMsINC Database Search


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MMsINC code: MMs02466572

Type: Neutral
Formula: C₁₁H₁₄F₆N₂O₅

SMILES:

FC(F)(F)C(=O)NC1CC(OC(CNC(=O)C(F)(F)F)C1O)OC

InChI:

InChI=1/C11H14F6N2O5/c1-23-6-2-4(19-9(22)11(15,16)17)7(20)5(24-6)3-18-8(21)10(12,13)14/h4-7,20H,2-3H2,1H3,(H,18,21)(H,19,22)/t4-,5-,6-,7-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=113.165 kcal/mol

Physical Properties
Molecular Weight: 368.23 g/mol	logS: -2.41574	SlogP: 0.6741	Reactive groups: 0

Topological Properties
Globularity: 0.0618297	Sterimol/B1: 2.39308	Sterimol/B2: 2.91671	Sterimol/B3: 3.49976
Sterimol/B4: 7.94875	Sterimol/L: 16.1595

Surface and Volume Properties
Accessible surface: 538.54	Positive charged surface: 249.055	Negative charged surface: 289.485	Volume: 261
Hydrophobic surface: 185.251	Hydrophilic surface: 353.289

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 5	Acid groups: 0	Basic groups: 0
Chiral centers: 4

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: no related molecules available.