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CHEMBLOCK-ZINC04743614

 MMsINC code: MMs00575694
Type: Neutral
Formula: C13H22N2O2
SMILES:   O=C(NC1CCCCC1)C1CCCC1C(=O)N
InChI:   InChI=1/C13H22N2O2/c14-12(16)10-7-4-8-11(10)13(17)15-9-5-2-1-3-6-9/h9-11H,1-8H2,(H2,14,16)(H,15,17)/t10-,11+/m0/s1

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Potential Energy
Epot(MMFF94)=21.2668 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 238.331 g/mol  logS: -2.09337  SlogP: 1.3369  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0803178  Sterimol/B1: 3.15462  Sterimol/B2: 3.63198  Sterimol/B3: 3.66366
  Sterimol/B4: 4.87958  Sterimol/L: 13.4907 
 
 Surface and Volume Properties
  Accessible surface: 455.39  Positive charged surface: 350.985  Negative charged surface: 104.405  Volume: 242.625
  Hydrophobic surface: 357.044  Hydrophilic surface: 98.346
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.