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ACROSORGANICS-ZINC02569900

 MMsINC code: MMs00014609
Type: Neutral
Formula: C6H16NO3P
SMILES:   P(O)(O)(=O)C(N)CCCCC
InChI:   InChI=1/C6H16NO3P/c1-2-3-4-5-6(7)11(8,9)10/h6H,2-5,7H2,1H3,(H2,8,9,10)/t6-/m0/s1

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Potential Energy
Epot(MMFF94)=-7.24709 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 181.172 g/mol  logS: -0.56775  SlogP: -0.041  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0879255  Sterimol/B1: 3.24942  Sterimol/B2: 3.42418  Sterimol/B3: 3.79527
  Sterimol/B4: 3.88234  Sterimol/L: 12.1609 
 
 Surface and Volume Properties
  Accessible surface: 384.698  Positive charged surface: 270.976  Negative charged surface: 113.722  Volume: 171.125
  Hydrophobic surface: 183.965  Hydrophilic surface: 200.733
 
 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.