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PUBCHEM-ZINC05860029

 MMsINC code: MMs03421637
Type: Neutral
Formula: C10H22F2NO3PS
SMILES:   S=P(OCCN(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

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=48.8273 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 305.326 g/mol  logS: -2.31891  SlogP: 2.5415  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.138346  Sterimol/B1: 2.16078  Sterimol/B2: 2.59199  Sterimol/B3: 5.78382
  Sterimol/B4: 8.33395  Sterimol/L: 14.2156 
 
 Surface and Volume Properties
  Accessible surface: 551.177  Positive charged surface: 372.247  Negative charged surface: 178.93  Volume: 270.75
  Hydrophobic surface: 371.452  Hydrophilic surface: 179.725
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  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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Ions/Tautomers related molecules


MMs03421638
PUBCHEM-ZINC05860029