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PUBCHEM-ZINC06203476

 MMsINC code: MMs03611038
Type: Neutral
Formula: C11H22N2O3
SMILES:   OC(=O)C(NC(=O)NCCCCC)C(C)C
InChI:   InChI=1/C11H22N2O3/c1-4-5-6-7-12-11(16)13-9(8(2)3)10(14)15/h8-9H,4-7H2,1-3H3,(H,14,15)(H2,12,13,16)/t9-/m1/s1

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Potential Energy
Epot(MMFF94)=-0.16625 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 230.308 g/mol  logS: -1.89034  SlogP: 1.585  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0516239  Sterimol/B1: 3.06514  Sterimol/B2: 3.3066  Sterimol/B3: 3.66023
  Sterimol/B4: 4.59429  Sterimol/L: 16.298 
 
 Surface and Volume Properties
  Accessible surface: 495.887  Positive charged surface: 364.21  Negative charged surface: 131.677  Volume: 238.625
  Hydrophobic surface: 300.144  Hydrophilic surface: 195.743
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 3  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


MMs03611039
PUBCHEM-ZINC06203476