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PUBCHEM-ZINC05975943

 MMsINC code: MMs03471412
Type: Neutral
Formula: C5H12NO5P
SMILES:   P(OCC1CNCC1O)(O)(O)=O
InChI:   InChI=1/C5H12NO5P/c7-5-2-6-1-4(5)3-11-12(8,9)10/h4-7H,1-3H2,(H2,8,9,10)/t4-,5+/m1/s1

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Potential Energy
Epot(MMFF94)=-50.7036 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 197.127 g/mol  logS: 1.03485  SlogP: -2.3942  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0935424  Sterimol/B1: 2.1655  Sterimol/B2: 2.91164  Sterimol/B3: 3.54183
  Sterimol/B4: 5.13051  Sterimol/L: 11.7843 
 
 Surface and Volume Properties
  Accessible surface: 376.808  Positive charged surface: 261.96  Negative charged surface: 114.848  Volume: 157.75
  Hydrophobic surface: 146.133  Hydrophilic surface: 230.675
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  Hydrogen bond acceptors: 6  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules


MMs03471413
PUBCHEM-ZINC05975943