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PUBCHEM-ZINC06469057

 MMsINC code: MMs03750656
Type: Neutral
Formula: C20H36N2O2
SMILES:   O=C(NC1CCCCC1C)CCCCC(=O)NC1CCCCC1C
InChI:   InChI=1/C20H36N2O2/c1-15-9-3-5-11-17(15)21-19(23)13-7-8-14-20(24)22-18-12-6-4-10-16(18)2/h15-18H,3-14H2,1-2H3,(H,21,23)(H,22,24)/t15-,16-,17+,18+/m0/s1

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Potential Energy
Epot(MMFF94)=25.4315 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 336.52 g/mol  logS: -3.44888  SlogP: 3.9366  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0374308  Sterimol/B1: 2.07441  Sterimol/B2: 3.29514  Sterimol/B3: 3.70571
  Sterimol/B4: 6.8203  Sterimol/L: 19.3713 
 
 Surface and Volume Properties
  Accessible surface: 660.253  Positive charged surface: 509.655  Negative charged surface: 150.599  Volume: 366.875
  Hydrophobic surface: 567.661  Hydrophilic surface: 92.592
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 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.