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NCID-ZINC01621027

 MMsINC code: MMs02268981
Type: Neutral
Formula: C8H16N2O2
SMILES:   O=CNCCCCCCNC=O
InChI:   InChI=1/C8H16N2O2/c11-7-9-5-3-1-2-4-6-10-8-12/h7-8H,1-6H2,(H,9,11)(H,10,12)

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Potential Energy
Epot(MMFF94)=-6.38093 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 172.228 g/mol  logS: -0.53532  SlogP: 0.0388  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.02618  Sterimol/B1: 2.37491  Sterimol/B2: 2.37586  Sterimol/B3: 2.58445
  Sterimol/B4: 3.44634  Sterimol/L: 15.8022 
 
 Surface and Volume Properties
  Accessible surface: 417.852  Positive charged surface: 335.729  Negative charged surface: 82.1233  Volume: 182.875
  Hydrophobic surface: 237.212  Hydrophilic surface: 180.64
 
 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.