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NCID-ZINC05029363

 MMsINC code: MMs02430087
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+/m1/s1

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Potential Energy
Epot(MMFF94)=99.981 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: 0.366546  Sterimol/B1: 2.44154  Sterimol/B2: 2.53127  Sterimol/B3: 4.75541
  Sterimol/B4: 6.38714  Sterimol/L: 9.67307 
 
 Surface and Volume Properties
  Accessible surface: 365.977  Positive charged surface: 299.056  Negative charged surface: 66.9213  Volume: 190.875
  Hydrophobic surface: 253.796  Hydrophilic surface: 112.181
 
 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.