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CHEMDIV-ZINC04687249

 MMsINC code: MMs00942183
Type: Neutral
Formula: C17H30N2O2
SMILES:   O=C1N(CC(C1)C(=O)NC1CCCCCC1)CCC(C)C
InChI:   InChI=1/C17H30N2O2/c1-13(2)9-10-19-12-14(11-16(19)20)17(21)18-15-7-5-3-4-6-8-15/h13-15H,3-12H2,1-2H3,(H,18,21)/t14-/m0/s1

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Potential Energy
Epot(MMFF94)=30.4675 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 294.439 g/mol  logS: -3.16271  SlogP: 2.72  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0501883  Sterimol/B1: 2.45341  Sterimol/B2: 2.78132  Sterimol/B3: 4.73063
  Sterimol/B4: 5.4008  Sterimol/L: 18.4418 
 
 Surface and Volume Properties
  Accessible surface: 581.259  Positive charged surface: 438.9  Negative charged surface: 142.36  Volume: 315.75
  Hydrophobic surface: 468.594  Hydrophilic surface: 112.665
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.