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ENAMINE-ZINC01621153

 MMsINC code: MMs01243030
Type: Neutral
Formula: C21H38N2O2
SMILES:   O=C(NC1CCCCC1)CCCCCCCC(=O)NC1CCCCC1
InChI:   InChI=1/C21H38N2O2/c24-20(22-18-12-6-4-7-13-18)16-10-2-1-3-11-17-21(25)23-19-14-8-5-9-15-19/h18-19H,1-17H2,(H,22,24)(H,23,25)

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Potential Energy
Epot(MMFF94)=10.2398 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 350.547 g/mol  logS: -4.591  SlogP: 4.6149  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0145354  Sterimol/B1: 3.0501  Sterimol/B2: 3.31922  Sterimol/B3: 3.39458
  Sterimol/B4: 4.34678  Sterimol/L: 25.0756 
 
 Surface and Volume Properties
  Accessible surface: 732.732  Positive charged surface: 596.207  Negative charged surface: 136.525  Volume: 383
  Hydrophobic surface: 651.025  Hydrophilic surface: 81.707
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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: 0
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Ions/Tautomers related molecules: no related molecules available.