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NCID-ZINC01605306

 MMsINC code: MMs02257550
Type: Neutral
Formula: C8H16N2O2
SMILES:   O=C(NC)CCCCC(=O)NC
InChI:   InChI=1/C8H16N2O2/c1-9-7(11)5-3-4-6-8(12)10-2/h3-6H2,1-2H3,(H,9,11)(H,10,12)

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Potential Energy
Epot(MMFF94)=-1.24233 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 172.228 g/mol  logS: -0.10306  SlogP: 0.0388  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0234403  Sterimol/B1: 2.37529  Sterimol/B2: 2.37539  Sterimol/B3: 2.89086
  Sterimol/B4: 3.3317  Sterimol/L: 15.7634 
 
 Surface and Volume Properties
  Accessible surface: 411.238  Positive charged surface: 350.636  Negative charged surface: 60.6016  Volume: 180.625
  Hydrophobic surface: 303.302  Hydrophilic surface: 107.936
 
 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.