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ACROSORGANICS-ZINC02569991

 MMsINC code: MMs00014619
Type: Ionized
Formula: C8H21NO3P+
SMILES:   P(OCC)(OCC)(=O)CCCC[NH3+]
InChI:   InChI=1/C8H20NO3P/c1-3-11-13(10,12-4-2)8-6-5-7-9/h3-9H2,1-2H3/p+1

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Potential Energy
Epot(MMFF94)=-11.4297 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 210.234 g/mol  logS: -0.33631  SlogP: 0.2044  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0694943  Sterimol/B1: 2.09937  Sterimol/B2: 2.5666  Sterimol/B3: 4.37575
  Sterimol/B4: 8.79265  Sterimol/L: 13.5325 
 
 Surface and Volume Properties
  Accessible surface: 482.113  Positive charged surface: 392.664  Negative charged surface: 89.4485  Volume: 215.5
  Hydrophobic surface: 320.959  Hydrophilic surface: 161.154
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 1
  Chiral centers: 0
 
 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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Parent related molecule:


MMs00014618
ACROSORGANICS-ZINC02569991