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NCID-ZINC05048489

 MMsINC code: MMs02432695
Type: Neutral
Formula: C10H20N2O2
SMILES:   O(C(=O)CCCCC(N=NC)C)CC
InChI:   InChI=1/C10H20N2O2/c1-4-14-10(13)8-6-5-7-9(2)12-11-3/h9H,4-8H2,1-3H3/b12-11+/t9-/m1/s1

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Potential Energy
Epot(MMFF94)=14.9827 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 200.282 g/mol  logS: -1.17978  SlogP: 2.5804  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0327731  Sterimol/B1: 2.80935  Sterimol/B2: 3.07833  Sterimol/B3: 3.89229
  Sterimol/B4: 5.00348  Sterimol/L: 16.2446 
 
 Surface and Volume Properties
  Accessible surface: 488.223  Positive charged surface: 389.599  Negative charged surface: 98.6239  Volume: 220.875
  Hydrophobic surface: 393.532  Hydrophilic surface: 94.691
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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.