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PUBCHEM-ZINC06711770

 MMsINC code: MMs03846524
Type: Neutral
Formula: C9H18N2O2
SMILES:   OC1CCCCC1NC(=O)N(C)C
InChI:   InChI=1/C9H18N2O2/c1-11(2)9(13)10-7-5-3-4-6-8(7)12/h7-8,12H,3-6H2,1-2H3,(H,10,13)/t7-,8-/m1/s1

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Potential Energy
Epot(MMFF94)=4.27739 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 186.255 g/mol  logS: -0.25172  SlogP: 0.5611  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.101331  Sterimol/B1: 2.47216  Sterimol/B2: 2.99757  Sterimol/B3: 3.97163
  Sterimol/B4: 5.16779  Sterimol/L: 12.4479 
 
 Surface and Volume Properties
  Accessible surface: 406.265  Positive charged surface: 344.457  Negative charged surface: 61.8081  Volume: 193
  Hydrophobic surface: 327.616  Hydrophilic surface: 78.649
 
 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.