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IBS-ZINC02106304

 MMsINC code: MMs01786392
Type: Neutral
Formula: C14H28N2O3
SMILES:   OC(=O)C(NC(=O)NC(CCCC(C)C)C)C(C)C
InChI:   InChI=1/C14H28N2O3/c1-9(2)7-6-8-11(5)15-14(19)16-12(10(3)4)13(17)18/h9-12H,6-8H2,1-5H3,(H,17,18)(H2,15,16,19)/t11-,12+/m1/s1

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Potential Energy
Epot(MMFF94)=12.936 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 272.389 g/mol  logS: -3.24799  SlogP: 2.6096  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0731645  Sterimol/B1: 2.48311  Sterimol/B2: 3.29111  Sterimol/B3: 4.2953
  Sterimol/B4: 8.20151  Sterimol/L: 16.0949 
 
 Surface and Volume Properties
  Accessible surface: 568.044  Positive charged surface: 407.729  Negative charged surface: 160.315  Volume: 290.125
  Hydrophobic surface: 352.273  Hydrophilic surface: 215.771
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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


MMs01786393
IBS-ZINC02106304