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NCID-ZINC04972287

 MMsINC code: MMs02420984
Type: Neutral
Formula: C3H11NO6P2
SMILES:   P(O)(O)(=O)C(N)CCP(O)(O)=O
InChI:   InChI=1/C3H11NO6P2/c4-3(12(8,9)10)1-2-11(5,6)7/h3H,1-2,4H2,(H2,5,6,7)(H2,8,9,10)/t3-/m0/s1

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Potential Energy
Epot(MMFF94)=-52.6974 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 219.07 g/mol  logS: 1.97464  SlogP: -3.1237  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.159885  Sterimol/B1: 2.95227  Sterimol/B2: 3.11475  Sterimol/B3: 3.60867
  Sterimol/B4: 5.27225  Sterimol/L: 11.1411 
 
 Surface and Volume Properties
  Accessible surface: 372.61  Positive charged surface: 216.055  Negative charged surface: 156.555  Volume: 158
  Hydrophobic surface: 58.4992  Hydrophilic surface: 314.1108
 
 Pharmacophoric Properties
  Hydrogen bond donors: 7  Hydrogen bond acceptors: 7  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: no related molecules available.