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CHEMDIV-ZINC06808574

 MMsINC code: MMs01036107
Type: Neutral
Formula: C13H20N2O
SMILES:   O=C(NC1CCCCC1)C(n1cccc1)C
InChI:   InChI=1/C13H20N2O/c1-11(15-9-5-6-10-15)13(16)14-12-7-3-2-4-8-12/h5-6,9-12H,2-4,7-8H2,1H3,(H,14,16)/t11-/m0/s1

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Potential Energy
Epot(MMFF94)=24.0952 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 220.316 g/mol  logS: -1.69303  SlogP: 2.5935  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0913561  Sterimol/B1: 2.0564  Sterimol/B2: 3.29209  Sterimol/B3: 3.78129
  Sterimol/B4: 6.10667  Sterimol/L: 14.2101 
 
 Surface and Volume Properties
  Accessible surface: 465.749  Positive charged surface: 321.292  Negative charged surface: 144.457  Volume: 234.5
  Hydrophobic surface: 391.784  Hydrophilic surface: 73.965
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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.