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PUBCHEM-ZINC02047297

 MMsINC code: MMs02865320
Type: Neutral
Formula: C4H11N2O5P
SMILES:   P(OCCNC(=O)CN)(O)(O)=O
InChI:   InChI=1/C4H11N2O5P/c5-3-4(7)6-1-2-11-12(8,9)10/h1-3,5H2,(H,6,7)(H2,8,9,10)

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Potential Energy
Epot(MMFF94)=-47.0443 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 198.115 g/mol  logS: 0.96049  SlogP: -2.8996  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.064416  Sterimol/B1: 2.41801  Sterimol/B2: 2.56925  Sterimol/B3: 3.45183
  Sterimol/B4: 5.25284  Sterimol/L: 12.7929 
 
 Surface and Volume Properties
  Accessible surface: 392.835  Positive charged surface: 266.489  Negative charged surface: 126.346  Volume: 158.625
  Hydrophobic surface: 126.454  Hydrophilic surface: 266.381
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  Hydrogen bond acceptors: 6  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


MMs02865321
PUBCHEM-ZINC02047297