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NCID-ZINC01617055

 MMsINC code: MMs02266332
Type: Neutral
Formula: C4H10NO4P
SMILES:   [PH](O)(=O)CCC(N)C(O)=O
InChI:   InChI=1/C4H10NO4P/c5-3(4(6)7)1-2-10(8)9/h3,10H,1-2,5H2,(H,6,7)(H,8,9)/t3-/m1/s1

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Potential Energy
Epot(MMFF94)=3.38011 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 167.101 g/mol  logS: 0.48806  SlogP: -1.8148  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.105535  Sterimol/B1: 3.06223  Sterimol/B2: 3.18381  Sterimol/B3: 3.33449
  Sterimol/B4: 4.04713  Sterimol/L: 11.0995 
 
 Surface and Volume Properties
  Accessible surface: 342.233  Positive charged surface: 192.148  Negative charged surface: 150.084  Volume: 136.625
  Hydrophobic surface: 99.5651  Hydrophilic surface: 242.6679
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  Hydrogen bond acceptors: 5  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: no related molecules available.