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ACROSORGANICS-ZINC02033983

 MMsINC code: MMs00012502
Type: Neutral
Formula: C4H10NO5P
SMILES:   P(O)(O)(=O)CCC(N)C(O)=O
InChI:   InChI=1/C4H10NO5P/c5-3(4(6)7)1-2-11(8,9)10/h3H,1-2,5H2,(H,6,7)(H2,8,9,10)/t3-/m0/s1

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Potential Energy
Epot(MMFF94)=-30.2364 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 183.1 g/mol  logS: 1.19001  SlogP: -2.1041  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.130563  Sterimol/B1: 3.22585  Sterimol/B2: 3.30291  Sterimol/B3: 3.41421
  Sterimol/B4: 4.0355  Sterimol/L: 11.1137 
 
 Surface and Volume Properties
  Accessible surface: 351.102  Positive charged surface: 209.171  Negative charged surface: 141.931  Volume: 141.75
  Hydrophobic surface: 70.2726  Hydrophilic surface: 280.8294
 
 Pharmacophoric Properties
  Hydrogen bond donors: 6  Hydrogen bond acceptors: 6  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.