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CHEMBRIDGE-ZINC00311742

 MMsINC code: MMs00606576
Type: Neutral
Formula: C16H29NO
SMILES:   O=C(NC1CCCCCC1)CCC1CCCCC1
InChI:   InChI=1/C16H29NO/c18-16(13-12-14-8-4-3-5-9-14)17-15-10-6-1-2-7-11-15/h14-15H,1-13H2,(H,17,18)

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Potential Energy
Epot(MMFF94)=31.3521 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 251.414 g/mol  logS: -4.94788  SlogP: 4.1859  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0624133  Sterimol/B1: 2.24624  Sterimol/B2: 3.52916  Sterimol/B3: 3.81385
  Sterimol/B4: 4.69215  Sterimol/L: 16.8468 
 
 Surface and Volume Properties
  Accessible surface: 530.724  Positive charged surface: 428.015  Negative charged surface: 102.709  Volume: 281.25
  Hydrophobic surface: 490.846  Hydrophilic surface: 39.878
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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.