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CHEMBRIDGE-ZINC02814306

 MMsINC code: MMs00717754
Type: Neutral
Formula: C10H20N2O2
SMILES:   O=C(NCC(C)C)C(=O)NCCCC
InChI:   InChI=1/C10H20N2O2/c1-4-5-6-11-9(13)10(14)12-7-8(2)3/h8H,4-7H2,1-3H3,(H,11,13)(H,12,14)

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Potential Energy
Epot(MMFF94)=20.5948 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 200.282 g/mol  logS: -1.71063  SlogP: 0.6749  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0254398  Sterimol/B1: 2.92159  Sterimol/B2: 3.0375  Sterimol/B3: 3.05604
  Sterimol/B4: 3.73994  Sterimol/L: 17.0514 
 
 Surface and Volume Properties
  Accessible surface: 473.536  Positive charged surface: 345.397  Negative charged surface: 128.139  Volume: 216.125
  Hydrophobic surface: 307.909  Hydrophilic surface: 165.627
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.