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ASINEX-ZINC04832711

 MMsINC code: MMs00375704
Type: Neutral
Formula: C17H31F6O3P
SMILES:   P(OC(CCCCCC)C(F)(F)F)(OC(CCCCCC)C(F)(F)F)(=O)C
InChI:   InChI=1/C17H31F6O3P/c1-4-6-8-10-12-14(16(18,19)20)25-27(3,24)26-15(17(21,22)23)13-11-9-7-5-2/h14-15H,4-13H2,1-3H3/t14-,15+,27+

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Potential Energy
Epot(MMFF94)=39.9237 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 428.394 g/mol  logS: -6.95708  SlogP: 7.4147  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0857734  Sterimol/B1: 2.18337  Sterimol/B2: 4.24115  Sterimol/B3: 5.51137
  Sterimol/B4: 8.12792  Sterimol/L: 20.3028 
 
 Surface and Volume Properties
  Accessible surface: 707.073  Positive charged surface: 426.707  Negative charged surface: 280.366  Volume: 375.375
  Hydrophobic surface: 451.465  Hydrophilic surface: 255.608
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.