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NCID-ZINC05956294

 MMsINC code: MMs02513442
Type: Neutral
Formula: C14H22F3NO8
SMILES:   FC(F)(F)C(=O)CCCCNC(OCC1OC(OC)C(O)C(O)C1O)=O
InChI:   InChI=1/C14H22F3NO8/c1-24-12-11(22)10(21)9(20)7(26-12)6-25-13(23)18-5-3-2-4-8(19)14(15,16)17/h7,9-12,20-22H,2-6H2,1H3,(H,18,23)/t7-,9+,10+,11-,12-/m0/s1

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Potential Energy
Epot(MMFF94)=71.1304 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 389.323 g/mol  logS: -1.24696  SlogP: -0.1118  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0214429  Sterimol/B1: 2.36685  Sterimol/B2: 2.58744  Sterimol/B3: 3.55253
  Sterimol/B4: 7.42187  Sterimol/L: 20.3215 
 
 Surface and Volume Properties
  Accessible surface: 646.638  Positive charged surface: 428.649  Negative charged surface: 217.988  Volume: 317
  Hydrophobic surface: 311.857  Hydrophilic surface: 334.781
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 7  Acid groups: 0  Basic groups: 0
  Chiral centers: 5
 
 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.