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NANOSIN-ZINC03894817

 MMsINC code: MMs02203087
Type: Neutral
Formula: C8H20NO2PS
SMILES:   S=P(OCC)(OCC)NCC(C)C
InChI:   InChI=1/C8H20NO2PS/c1-5-10-12(13,11-6-2)9-7-8(3)4/h8H,5-7H2,1-4H3,(H,9,13)

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Potential Energy
Epot(MMFF94)=-22.4792 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 225.293 g/mol  logS: -1.94712  SlogP: 2.5295  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.18379  Sterimol/B1: 2.47464  Sterimol/B2: 2.63155  Sterimol/B3: 5.65681
  Sterimol/B4: 8.01439  Sterimol/L: 11.7588 
 
 Surface and Volume Properties
  Accessible surface: 458.78  Positive charged surface: 312.963  Negative charged surface: 145.817  Volume: 225.875
  Hydrophobic surface: 305.603  Hydrophilic surface: 153.177
 
 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.