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NCID-ZINC05029365

 MMsINC code: MMs02430088
Type: Neutral
Formula: C10H18N2O2
SMILES:   OC1C2N(CCCC2CCC1)C(=O)N
InChI:   InChI=1/C10H18N2O2/c11-10(14)12-6-2-4-7-3-1-5-8(13)9(7)12/h7-9,13H,1-6H2,(H2,11,14)/t7-,8+,9-/m0/s1

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Potential Energy
Epot(MMFF94)=37.1948 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 198.266 g/mol  logS: -0.78465  SlogP: 0.6905  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.155544  Sterimol/B1: 2.55085  Sterimol/B2: 3.486  Sterimol/B3: 4.39389
  Sterimol/B4: 4.4591  Sterimol/L: 10.3961 
 
 Surface and Volume Properties
  Accessible surface: 375.473  Positive charged surface: 306.168  Negative charged surface: 69.3055  Volume: 193.375
  Hydrophobic surface: 261.481  Hydrophilic surface: 113.992
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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.