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NCID-ZINC01720915

 MMsINC code: MMs02345817
Type: Neutral
Formula: C4H10NO5P
SMILES:   P(O)(O)(=O)C(N)CCC(O)=O
InChI:   InChI=1/C4H10NO5P/c5-3(11(8,9)10)1-2-4(6)7/h3H,1-2,5H2,(H,6,7)(H2,8,9,10)/t3-/m0/s1

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Potential Energy
Epot(MMFF94)=-12.5501 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 183.1 g/mol  logS: 1.42736  SlogP: -1.7565  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.120245  Sterimol/B1: 2.83377  Sterimol/B2: 2.98935  Sterimol/B3: 3.69367
  Sterimol/B4: 5.22063  Sterimol/L: 10.8381 
 
 Surface and Volume Properties
  Accessible surface: 340.371  Positive charged surface: 209.727  Negative charged surface: 130.644  Volume: 143.25
  Hydrophobic surface: 68.4993  Hydrophilic surface: 271.8717
 
 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


MMs02345818
NCID-ZINC01720915