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NCID-ZINC01718516

 MMsINC code: MMs02343844
Type: Neutral
Formula: C8H14N2O2
SMILES:   O=C(N)C1CCCCC1C(=O)N
InChI:   InChI=1/C8H14N2O2/c9-7(11)5-3-1-2-4-6(5)8(10)12/h5-6H,1-4H2,(H2,9,11)(H2,10,12)/t5-,6+

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Potential Energy
Epot(MMFF94)=17.7369 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 170.212 g/mol  logS: -1.24344  SlogP: -0.2366  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.254552  Sterimol/B1: 2.90997  Sterimol/B2: 2.97259  Sterimol/B3: 3.58225
  Sterimol/B4: 5.44083  Sterimol/L: 9.26431 
 
 Surface and Volume Properties
  Accessible surface: 340.801  Positive charged surface: 251.677  Negative charged surface: 89.1245  Volume: 160.5
  Hydrophobic surface: 171.69  Hydrophilic surface: 169.111
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.