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IBS-ZINC01787697

 MMsINC code: MMs01774915
Type: Neutral
Formula: C5H10NO7P
SMILES:   P(O)(O)(=O)CN(CC(O)=O)CC(O)=O
InChI:   InChI=1/C5H10NO7P/c7-4(8)1-6(2-5(9)10)3-14(11,12)13/h1-3H2,(H,7,8)(H,9,10)(H2,11,12,13)

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Potential Energy
Epot(MMFF94)=33.9826 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 227.109 g/mol  logS: 1.48391  SlogP: -2.4774  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.169769  Sterimol/B1: 2.67196  Sterimol/B2: 4.08046  Sterimol/B3: 4.24347
  Sterimol/B4: 5.99487  Sterimol/L: 10.242 
 
 Surface and Volume Properties
  Accessible surface: 384.472  Positive charged surface: 226.936  Negative charged surface: 157.536  Volume: 169.625
  Hydrophobic surface: 79.6391  Hydrophilic surface: 304.8329
 
 Pharmacophoric Properties
  Hydrogen bond donors: 7  Hydrogen bond acceptors: 8  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


MMs01774916
IBS-ZINC01787697