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CHEMBRIDGE-ZINC04904477

 MMsINC code: MMs00810154
Type: Neutral
Formula: C20H36N2O2
SMILES:   O=C(NC1CCCCCCC1)CCC(=O)NC1CCCCCCC1
InChI:   InChI=1/C20H36N2O2/c23-19(21-17-11-7-3-1-4-8-12-17)15-16-20(24)22-18-13-9-5-2-6-10-14-18/h17-18H,1-16H2,(H,21,23)(H,22,24)

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Potential Energy
Epot(MMFF94)=133.538 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 336.52 g/mol  logS: -4.70268  SlogP: 4.2248  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0442124  Sterimol/B1: 3.05384  Sterimol/B2: 3.99791  Sterimol/B3: 4.08592
  Sterimol/B4: 4.76456  Sterimol/L: 19.3278 
 
 Surface and Volume Properties
  Accessible surface: 639.68  Positive charged surface: 495.241  Negative charged surface: 144.44  Volume: 357.875
  Hydrophobic surface: 563.324  Hydrophilic surface: 76.356
 
 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: 1
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Ions/Tautomers related molecules: no related molecules available.