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PUBCHEM-ZINC04616453

 MMsINC code: MMs03142029
Type: Neutral
Formula: C18H34N2O2
SMILES:   O=C(NC1CCCCC1)CCC(=O)NCC(CCCC)CC
InChI:   InChI=1/C18H34N2O2/c1-3-5-9-15(4-2)14-19-17(21)12-13-18(22)20-16-10-7-6-8-11-16/h15-16H,3-14H2,1-2H3,(H,19,21)(H,20,22)/t15-/m1/s1

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Potential Energy
Epot(MMFF94)=16.6236 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 310.482 g/mol  logS: -3.96229  SlogP: 3.5481  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0253463  Sterimol/B1: 2.50551  Sterimol/B2: 3.6408  Sterimol/B3: 4.06957
  Sterimol/B4: 4.51062  Sterimol/L: 22.4153 
 
 Surface and Volume Properties
  Accessible surface: 656.511  Positive charged surface: 507.706  Negative charged surface: 148.805  Volume: 339.375
  Hydrophobic surface: 530.427  Hydrophilic surface: 126.084
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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.