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PUBCHEM-ZINC04613856

 MMsINC code: MMs03141520
Type: Neutral
Formula: C20H39N3O2
SMILES:   O=C(N1CCN(CC1)CCNC(=O)CCCCCC)CCCCCC
InChI:   InChI=1/C20H39N3O2/c1-3-5-7-9-11-19(24)21-13-14-22-15-17-23(18-16-22)20(25)12-10-8-6-4-2/h3-18H2,1-2H3,(H,21,24)

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Potential Energy
Epot(MMFF94)=42.4332 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 353.551 g/mol  logS: -4.41644  SlogP: 3.1876  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0154107  Sterimol/B1: 2.84732  Sterimol/B2: 3.18923  Sterimol/B3: 3.42047
  Sterimol/B4: 7.70097  Sterimol/L: 26.3023 
 
 Surface and Volume Properties
  Accessible surface: 752.703  Positive charged surface: 624.54  Negative charged surface: 128.162  Volume: 394.375
  Hydrophobic surface: 624.631  Hydrophilic surface: 128.072
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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


MMs03141521
PUBCHEM-ZINC04613856