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NCID-ZINC04417023

 MMsINC code: MMs02386669
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-/m0/s1

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Potential Energy
Epot(MMFF94)=9.08002 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: 0.159316  Sterimol/B1: 2.37488  Sterimol/B2: 2.60086  Sterimol/B3: 3.09319
  Sterimol/B4: 6.27403  Sterimol/L: 9.33522 
 
 Surface and Volume Properties
  Accessible surface: 350.067  Positive charged surface: 254.714  Negative charged surface: 95.3525  Volume: 164.5
  Hydrophobic surface: 171.513  Hydrophilic surface: 178.554
 
 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.