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NANOSIN-ZINC00225809

 MMsINC code: MMs02190862
Type: Neutral
Formula: C6H16NO2PS
SMILES:   S=P(OCC)(OCC)NCC
InChI:   InChI=1/C6H16NO2PS/c1-4-7-10(11,8-5-2)9-6-3/h4-6H2,1-3H3,(H,7,11)

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Potential Energy
Epot(MMFF94)=-7.22316 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 197.239 g/mol  logS: -1.54358  SlogP: 1.8934  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.108499  Sterimol/B1: 2.41303  Sterimol/B2: 2.46461  Sterimol/B3: 5.37311
  Sterimol/B4: 6.59284  Sterimol/L: 12.0673 
 
 Surface and Volume Properties
  Accessible surface: 415.388  Positive charged surface: 277.317  Negative charged surface: 138.071  Volume: 188.25
  Hydrophobic surface: 255.936  Hydrophilic surface: 159.452
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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: no related molecules available.