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PUBCHEM-ZINC01926673

 MMsINC code: MMs02830868
Type: Neutral
Formula: C11H20N2O3
SMILES:   O=C1NCCN(CCC(C)C)C1CC(O)=O
InChI:   InChI=1/C11H20N2O3/c1-8(2)3-5-13-6-4-12-11(16)9(13)7-10(14)15/h8-9H,3-7H2,1-2H3,(H,12,16)(H,14,15)/t9-/m1/s1

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Potential Energy
Epot(MMFF94)=50.4506 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 228.292 g/mol  logS: -1.24702  SlogP: 0.3076  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.151817  Sterimol/B1: 3.0106  Sterimol/B2: 3.90391  Sterimol/B3: 4.03994
  Sterimol/B4: 5.86164  Sterimol/L: 12.4094 
 
 Surface and Volume Properties
  Accessible surface: 441.428  Positive charged surface: 323.749  Negative charged surface: 117.679  Volume: 225.875
  Hydrophobic surface: 261.722  Hydrophilic surface: 179.706
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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: no related molecules available.