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IBS-ZINC02414568

 MMsINC code: MMs01856363
Type: Neutral
Formula: C11H22N2O3
SMILES:   OC(=O)C(NC(=O)NCCC(C)C)C(C)C
InChI:   InChI=1/C11H22N2O3/c1-7(2)5-6-12-11(16)13-9(8(3)4)10(14)15/h7-9H,5-6H2,1-4H3,(H,14,15)(H2,12,13,16)/t9-/m0/s1

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Potential Energy
Epot(MMFF94)=9.54324 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 230.308 g/mol  logS: -1.89034  SlogP: 1.4409  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0584585  Sterimol/B1: 2.39073  Sterimol/B2: 4.225  Sterimol/B3: 4.34221
  Sterimol/B4: 4.47434  Sterimol/L: 15.6282 
 
 Surface and Volume Properties
  Accessible surface: 488.74  Positive charged surface: 347.729  Negative charged surface: 141.011  Volume: 238.75
  Hydrophobic surface: 274.77  Hydrophilic surface: 213.97
 
 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


MMs01856364
IBS-ZINC02414568