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CHEMBRIDGE-ZINC04857906

 MMsINC code: MMs00804134
Type: Neutral
Formula: C17H28N2O2
SMILES:   O=C1N(CC(C1)C(=O)N1CC(CCC1)C)C1CCCCC1
InChI:   InChI=1/C17H28N2O2/c1-13-6-5-9-18(11-13)17(21)14-10-16(20)19(12-14)15-7-3-2-4-8-15/h13-15H,2-12H2,1H3/t13-,14-/m1/s1

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Potential Energy
Epot(MMFF94)=25.9109 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 292.423 g/mol  logS: -1.938  SlogP: 2.4261  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0591093  Sterimol/B1: 2.35668  Sterimol/B2: 3.43564  Sterimol/B3: 3.76619
  Sterimol/B4: 6.46247  Sterimol/L: 16.1636 
 
 Surface and Volume Properties
  Accessible surface: 545.049  Positive charged surface: 428.509  Negative charged surface: 116.54  Volume: 303.625
  Hydrophobic surface: 474.503  Hydrophilic surface: 70.546
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.