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ACROSORGANICS-ZINC01707649

 MMsINC code: MMs00011495
Type: Neutral
Formula: C5H14NO3P
SMILES:   P(O)(O)(=O)C(N)C(CC)C
InChI:   InChI=1/C5H14NO3P/c1-3-4(2)5(6)10(7,8)9/h4-5H,3,6H2,1-2H3,(H2,7,8,9)/t4-,5+/m0/s1

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Potential Energy
Epot(MMFF94)=1.53941 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 167.145 g/mol  logS: 0.26092  SlogP: -0.5752  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.148323  Sterimol/B1: 3.18811  Sterimol/B2: 3.42388  Sterimol/B3: 3.45616
  Sterimol/B4: 4.21511  Sterimol/L: 10.6732 
 
 Surface and Volume Properties
  Accessible surface: 339.251  Positive charged surface: 221.44  Negative charged surface: 117.811  Volume: 152.375
  Hydrophobic surface: 131.101  Hydrophilic surface: 208.15
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  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.