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PUBCHEM-ZINC05759899

 MMsINC code: MMs03373527
Type: Neutral
Formula: C10H20N2O2
SMILES:   O=C(N(C)C)C(NC(=O)C)CC(C)C
InChI:   InChI=1/C10H20N2O2/c1-7(2)6-9(11-8(3)13)10(14)12(4)5/h7,9H,6H2,1-5H3,(H,11,13)/t9-/m1/s1

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Potential Energy
Epot(MMFF94)=65.7277 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 200.282 g/mol  logS: -1.39647  SlogP: 0.6254  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.251625  Sterimol/B1: 2.18369  Sterimol/B2: 3.09126  Sterimol/B3: 3.73544
  Sterimol/B4: 6.92378  Sterimol/L: 11.7115 
 
 Surface and Volume Properties
  Accessible surface: 418.667  Positive charged surface: 312.562  Negative charged surface: 106.105  Volume: 212.75
  Hydrophobic surface: 319.823  Hydrophilic surface: 98.844
 
 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.