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PUBCHEM-ZINC05860029

 MMsINC code: MMs03421638
Type: Ionized
Formula: C10H23F2NO3PS+
SMILES:   S=P(OCC[NH+](CCF)CCF)(OCC)OCC
InChI:   InChI=1/C10H22F2NO3PS/c1-3-14-17(18,15-4-2)16-10-9-13(7-5-11)8-6-12/h3-10H2,1-2H3/p+1

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Potential Energy
Epot(MMFF94)=16.2572 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 306.334 g/mol  logS: -2.29452  SlogP: 1.1244  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.199997  Sterimol/B1: 2.2741  Sterimol/B2: 2.27701  Sterimol/B3: 6.64526
  Sterimol/B4: 7.3824  Sterimol/L: 14.1722 
 
 Surface and Volume Properties
  Accessible surface: 536.34  Positive charged surface: 360.049  Negative charged surface: 176.29  Volume: 278.375
  Hydrophobic surface: 336.773  Hydrophilic surface: 199.567
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 1
  Chiral centers: 0
 
 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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Parent related molecule:


MMs03421637
PUBCHEM-ZINC05860029