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IBS-ZINC04521256

 MMsINC code: MMs01886665
Type: Neutral
Formula: C4H11NO8P2
SMILES:   P(O)(O)(=O)CN(CC(O)=O)CP(O)(O)=O
InChI:   InChI=1/C4H11NO8P2/c6-4(7)1-5(2-14(8,9)10)3-15(11,12)13/h1-3H2,(H,6,7)(H2,8,9,10)(H2,11,12,13)

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Potential Energy
Epot(MMFF94)=-5.46348 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 263.079 g/mol  logS: 2.44377  SlogP: -3.497  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.225689  Sterimol/B1: 2.91461  Sterimol/B2: 3.6231  Sterimol/B3: 3.86169
  Sterimol/B4: 6.72567  Sterimol/L: 10.4271 
 
 Surface and Volume Properties
  Accessible surface: 400.152  Positive charged surface: 233.319  Negative charged surface: 166.834  Volume: 183.375
  Hydrophobic surface: 80.8023  Hydrophilic surface: 319.3497
 
 Pharmacophoric Properties
  Hydrogen bond donors: 8  Hydrogen bond acceptors: 9  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


MMs01886666
IBS-ZINC04521256