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NCID-ZINC01532464

 MMsINC code: MMs02218863
Type: Neutral
Formula: C4H10NO6P
SMILES:   P(OC(C(N)C(O)=O)C)(O)(O)=O
InChI:   InChI=1/C4H10NO6P/c1-2(3(5)4(6)7)11-12(8,9)10/h2-3H,5H2,1H3,(H,6,7)(H2,8,9,10)/t2-,3+/m1/s1

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Potential Energy
Epot(MMFF94)=-47.0665 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 199.099 g/mol  logS: 0.81001  SlogP: -2.1741  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.266655  Sterimol/B1: 2.31789  Sterimol/B2: 2.66877  Sterimol/B3: 3.58257
  Sterimol/B4: 6.50762  Sterimol/L: 9.38825 
 
 Surface and Volume Properties
  Accessible surface: 349.482  Positive charged surface: 202.284  Negative charged surface: 147.198  Volume: 150.5
  Hydrophobic surface: 75.2574  Hydrophilic surface: 274.2246
 
 Pharmacophoric Properties
  Hydrogen bond donors: 6  Hydrogen bond acceptors: 7  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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


MMs02218864
NCID-ZINC01532464