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NCID-ZINC01589590

 MMsINC code: MMs02244845
Type: Neutral
Formula: C9H18N2O2
SMILES:   O=C(NC)CCCCCNC(=O)C
InChI:   InChI=1/C9H18N2O2/c1-8(12)11-7-5-3-4-6-9(13)10-2/h3-7H2,1-2H3,(H,10,13)(H,11,12)

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Potential Energy
Epot(MMFF94)=-1.84746 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 186.255 g/mol  logS: -0.43027  SlogP: 0.4289  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0210891  Sterimol/B1: 2.37577  Sterimol/B2: 2.51206  Sterimol/B3: 2.62251
  Sterimol/B4: 3.82973  Sterimol/L: 16.9683 
 
 Surface and Volume Properties
  Accessible surface: 452.216  Positive charged surface: 358.274  Negative charged surface: 93.9424  Volume: 197.5
  Hydrophobic surface: 338.099  Hydrophilic surface: 114.117
 
 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.