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ACROSORGANICS-ZINC02579335

 MMsINC code: MMs00014767
Type: Neutral
Formula: C5H14NO3P
SMILES:   P(O)(O)(=O)C(N)(CCC)C
InChI:   InChI=1/C5H14NO3P/c1-3-4-5(2,6)10(7,8)9/h3-4,6H2,1-2H3,(H2,7,8,9)/t5-/m1/s1

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Potential Energy
Epot(MMFF94)=-4.35862 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 167.145 g/mol  logS: -0.03975  SlogP: -0.4311  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.249466  Sterimol/B1: 3.15439  Sterimol/B2: 3.53259  Sterimol/B3: 3.7286
  Sterimol/B4: 4.16644  Sterimol/L: 11.0355 
 
 Surface and Volume Properties
  Accessible surface: 341.596  Positive charged surface: 215.176  Negative charged surface: 126.42  Volume: 151.75
  Hydrophobic surface: 137.006  Hydrophilic surface: 204.59
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  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.