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PUBCHEM-ZINC06379527

 MMsINC code: MMs03692811
Type: Neutral
Formula: C10H22N2O2
SMILES:   OC(O)(C(N)CCCC)CNC1CC1
InChI:   InChI=1/C10H22N2O2/c1-2-3-4-9(11)10(13,14)7-12-8-5-6-8/h8-9,12-14H,2-7,11H2,1H3/t9-/m0/s1

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Potential Energy
Epot(MMFF94)=42.6819 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 202.298 g/mol  logS: -0.81152  SlogP: -0.0632  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0562211  Sterimol/B1: 2.55135  Sterimol/B2: 3.3477  Sterimol/B3: 3.77969
  Sterimol/B4: 3.87445  Sterimol/L: 15.7047 
 
 Surface and Volume Properties
  Accessible surface: 459.804  Positive charged surface: 340.871  Negative charged surface: 118.933  Volume: 220.75
  Hydrophobic surface: 276.631  Hydrophilic surface: 183.173
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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


MMs03692812
PUBCHEM-ZINC06379527