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CHEMBLOCK-ZINC03901116

 MMsINC code: MMs00540970
Type: Neutral
Formula: C15H20N2O2
SMILES:   O=C1N(CN2CCCCC2)C(=O)C2C1C1CC2C=C1
InChI:   InChI=1/C15H20N2O2/c18-14-12-10-4-5-11(8-10)13(12)15(19)17(14)9-16-6-2-1-3-7-16/h4-5,10-13H,1-3,6-9H2/t10-,11+,12-,13-/m0/s1

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Potential Energy
Epot(MMFF94)=80.3824 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 260.337 g/mol  logS: -0.89545  SlogP: 1.2369  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.114068  Sterimol/B1: 3.02819  Sterimol/B2: 3.189  Sterimol/B3: 4.60786
  Sterimol/B4: 4.76389  Sterimol/L: 13.6541 
 
 Surface and Volume Properties
  Accessible surface: 478.483  Positive charged surface: 345.963  Negative charged surface: 132.52  Volume: 254.375
  Hydrophobic surface: 368.718  Hydrophilic surface: 109.765
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 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.