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CHEMBRIDGE-ZINC04894164

 MMsINC code: MMs00809346
Type: Neutral
Formula: C18H32N2O2
SMILES:   O=C(NCCNC(=O)CCC1CCCC1)CCC1CCCC1
InChI:   InChI=1/C18H32N2O2/c21-17(11-9-15-5-1-2-6-15)19-13-14-20-18(22)12-10-16-7-3-4-8-16/h15-16H,1-14H2,(H,19,21)(H,20,22)

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Potential Energy
Epot(MMFF94)=30.7982 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 308.466 g/mol  logS: -5.30206  SlogP: 3.1596  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0209738  Sterimol/B1: 2.47584  Sterimol/B2: 2.50805  Sterimol/B3: 4.13626
  Sterimol/B4: 4.3595  Sterimol/L: 22.8039 
 
 Surface and Volume Properties
  Accessible surface: 653.452  Positive charged surface: 532.153  Negative charged surface: 121.298  Volume: 333.75
  Hydrophobic surface: 554.615  Hydrophilic surface: 98.837
 
 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.