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PUBCHEM-ZINC03161010

 MMsINC code: MMs03003394
Type: Neutral
Formula: C13H28NPS
SMILES:   S=P(NC1CCCCC1)(C(C)(C)C)C(C)C
InChI:   InChI=1/C13H28NPS/c1-11(2)15(16,13(3,4)5)14-12-9-7-6-8-10-12/h11-12H,6-10H2,1-5H3,(H,14,16)/t15-/m1/s1

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Potential Energy
Epot(MMFF94)=57.2217 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 261.414 g/mol  logS: -3.16002  SlogP: 4.5101  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.156862  Sterimol/B1: 3.66294  Sterimol/B2: 3.74703  Sterimol/B3: 3.91999
  Sterimol/B4: 6.00356  Sterimol/L: 12.6912 
 
 Surface and Volume Properties
  Accessible surface: 466.685  Positive charged surface: 317.222  Negative charged surface: 149.464  Volume: 280.25
  Hydrophobic surface: 347.458  Hydrophilic surface: 119.227
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 0  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.