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CHEMBRIDGE-ZINC02464313

 MMsINC code: MMs00709588
Type: Neutral
Formula: C9H20NO4P
SMILES:   P(O)(=O)(CN(CCCC)CCC(O)=O)C
InChI:   InChI=1/C9H20NO4P/c1-3-4-6-10(7-5-9(11)12)8-15(2,13)14/h3-8H2,1-2H3,(H,11,12)(H,13,14)

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Potential Energy
Epot(MMFF94)=32.1756 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 237.236 g/mol  logS: 0.46301  SlogP: 0.3507  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0982532  Sterimol/B1: 2.56132  Sterimol/B2: 3.37397  Sterimol/B3: 3.82027
  Sterimol/B4: 5.66782  Sterimol/L: 14.1918 
 
 Surface and Volume Properties
  Accessible surface: 446.034  Positive charged surface: 293.871  Negative charged surface: 152.163  Volume: 225.625
  Hydrophobic surface: 240.659  Hydrophilic surface: 205.375
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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


MMs00709589
CHEMBRIDGE-ZINC02464313