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AURORAFEINCHEMIE-ZINC02430212

 MMsINC code: MMs00453443
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-/m0/s1

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Potential Energy
Epot(MMFF94)=6.71049 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: 0.032693  Sterimol/B1: 2.80583  Sterimol/B2: 3.1818  Sterimol/B3: 3.79383
  Sterimol/B4: 4.86079  Sterimol/L: 16.2853 
 
 Surface and Volume Properties
  Accessible surface: 492.659  Positive charged surface: 366.681  Negative charged surface: 125.978  Volume: 238.125
  Hydrophobic surface: 295.695  Hydrophilic surface: 196.964
 
 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


MMs00453444
AURORAFEINCHEMIE-ZINC02430212