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PUBCHEM-ZINC06311958

 MMsINC code: MMs03670011
Type: Neutral
Formula: C6H18N3PS
SMILES:   S=P(NCC)(NCC)NCC
InChI:   InChI=1/C6H18N3PS/c1-4-7-10(11,8-5-2)9-6-3/h4-6H2,1-3H3,(H3,7,8,9,11)

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Potential Energy
Epot(MMFF94)=-58.2133 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 195.271 g/mol  logS: -0.42904  SlogP: 1.0394  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.111903  Sterimol/B1: 2.11985  Sterimol/B2: 2.91235  Sterimol/B3: 4.11155
  Sterimol/B4: 6.53809  Sterimol/L: 12.0717 
 
 Surface and Volume Properties
  Accessible surface: 402.296  Positive charged surface: 274.386  Negative charged surface: 127.909  Volume: 196.875
  Hydrophobic surface: 232.113  Hydrophilic surface: 170.183
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 0  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.