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ACROSORGANICS-ZINC02569990

 MMsINC code: MMs00014616
Type: Neutral
Formula: C7H18NO3P
SMILES:   P(OCC)(OCC)(=O)CCCN
InChI:   InChI=1/C7H18NO3P/c1-3-10-12(9,11-4-2)7-5-6-8/h3-8H2,1-2H3

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Potential Energy
Epot(MMFF94)=-0.601825 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 195.199 g/mol  logS: -0.15893  SlogP: 0.5311  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0698183  Sterimol/B1: 2.10518  Sterimol/B2: 2.56611  Sterimol/B3: 4.06891
  Sterimol/B4: 7.97184  Sterimol/L: 13.3333 
 
 Surface and Volume Properties
  Accessible surface: 441.765  Positive charged surface: 337.629  Negative charged surface: 104.135  Volume: 193.625
  Hydrophobic surface: 292.741  Hydrophilic surface: 149.024
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  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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Ions/Tautomers related molecules


MMs00014617
ACROSORGANICS-ZINC02569990