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ASINEX-ZINC04384373

 MMsINC code: MMs00329055
Type: Neutral
Formula: C8H14N2O3
SMILES:   OC(=O)CN1CCC(CC1)C(=O)N
InChI:   InChI=1/C8H14N2O3/c9-8(13)6-1-3-10(4-2-6)5-7(11)12/h6H,1-5H2,(H2,9,13)(H,11,12)

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Potential Energy
Epot(MMFF94)=25.4196 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 186.211 g/mol  logS: -0.07169  SlogP: -0.7317  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0844098  Sterimol/B1: 2.49286  Sterimol/B2: 2.57165  Sterimol/B3: 3.34736
  Sterimol/B4: 4.84685  Sterimol/L: 12.5178 
 
 Surface and Volume Properties
  Accessible surface: 373.343  Positive charged surface: 277.982  Negative charged surface: 95.3615  Volume: 173
  Hydrophobic surface: 180.933  Hydrophilic surface: 192.41
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  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.