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NCID-ZINC01720879

 MMsINC code: MMs02345781
Type: Neutral
Formula: C7H18NO3P
SMILES:   P(O)(O)(=O)C(N(C)C)CC(C)C
InChI:   InChI=1/C7H18NO3P/c1-6(2)5-7(8(3)4)12(9,10)11/h6-7H,5H2,1-4H3,(H2,9,10,11)/t7-/m1/s1

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Potential Energy
Epot(MMFF94)=32.6552 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 195.199 g/mol  logS: -0.25906  SlogP: 0.0277  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.309514  Sterimol/B1: 3.28043  Sterimol/B2: 3.54674  Sterimol/B3: 3.65096
  Sterimol/B4: 5.17888  Sterimol/L: 9.83302 
 
 Surface and Volume Properties
  Accessible surface: 369.192  Positive charged surface: 272.877  Negative charged surface: 96.3143  Volume: 186.75
  Hydrophobic surface: 229.147  Hydrophilic surface: 140.045
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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.