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NCID-ZINC01720918

 MMsINC code: MMs02345820
Type: Neutral
Formula: C3H10NO4P
SMILES:   P(O)(O)(=O)C(N)CCO
InChI:   InChI=1/C3H10NO4P/c4-3(1-2-5)9(6,7)8/h3,5H,1-2,4H2,(H2,6,7,8)/t3-/m0/s1

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Potential Energy
Epot(MMFF94)=-7.59288 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 155.09 g/mol  logS: 1.50766  SlogP: -2.2389  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.195955  Sterimol/B1: 3.05569  Sterimol/B2: 3.09531  Sterimol/B3: 3.49189
  Sterimol/B4: 5.18353  Sterimol/L: 9.54578 
 
 Surface and Volume Properties
  Accessible surface: 314.203  Positive charged surface: 211.608  Negative charged surface: 102.596  Volume: 122.125
  Hydrophobic surface: 79.4835  Hydrophilic surface: 234.7195
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  Hydrogen bond acceptors: 5  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: no related molecules available.