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CHEMBLOCK-ZINC04687087

 MMsINC code: MMs00569116
Type: Neutral
Formula: C10H20N2O2
SMILES:   O=C(NC(C(C)(C)C)CNC(=O)C)C
InChI:   InChI=1/C10H20N2O2/c1-7(13)11-6-9(10(3,4)5)12-8(2)14/h9H,6H2,1-5H3,(H,11,13)(H,12,14)/t9-/m0/s1

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Potential Energy
Epot(MMFF94)=36.9845 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 200.282 g/mol  logS: -0.88292  SlogP: 0.6733  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.15551  Sterimol/B1: 3.07626  Sterimol/B2: 3.62279  Sterimol/B3: 4.51739
  Sterimol/B4: 5.58162  Sterimol/L: 12.0164 
 
 Surface and Volume Properties
  Accessible surface: 428.361  Positive charged surface: 281.589  Negative charged surface: 146.772  Volume: 212.25
  Hydrophobic surface: 299.292  Hydrophilic surface: 129.069
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.