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NCID-ZINC01720875

 MMsINC code: MMs02345776
Type: Neutral
Formula: C7H18NO3P
SMILES:   P(O)(O)(=O)C(N)CCCCCC
InChI:   InChI=1/C7H18NO3P/c1-2-3-4-5-6-7(8)12(9,10)11/h7H,2-6,8H2,1H3,(H2,9,10,11)/t7-/m0/s1

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Potential Energy
Epot(MMFF94)=-9.17989 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 195.199 g/mol  logS: -1.08297  SlogP: 0.3491  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0644478  Sterimol/B1: 3.02578  Sterimol/B2: 3.26135  Sterimol/B3: 3.69681
  Sterimol/B4: 4.17409  Sterimol/L: 13.3645 
 
 Surface and Volume Properties
  Accessible surface: 417.43  Positive charged surface: 299.54  Negative charged surface: 117.891  Volume: 188.5
  Hydrophobic surface: 219.286  Hydrophilic surface: 198.144
 
 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.