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IBS-ZINC02414733

 MMsINC code: MMs01856412
Type: Neutral
Formula: C10H18N2O3
SMILES:   O(C(=O)C(NC(=O)NCC=C)C(C)C)C
InChI:   InChI=1/C10H18N2O3/c1-5-6-11-10(14)12-8(7(2)3)9(13)15-4/h5,7-8H,1,6H2,2-4H3,(H2,11,12,14)/t8-/m0/s1

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Potential Energy
Epot(MMFF94)=16.2325 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 214.265 g/mol  logS: -1.23948  SlogP: 0.6692  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0468751  Sterimol/B1: 2.86093  Sterimol/B2: 3.00031  Sterimol/B3: 3.23944
  Sterimol/B4: 5.99474  Sterimol/L: 15.1651 
 
 Surface and Volume Properties
  Accessible surface: 453.299  Positive charged surface: 327.174  Negative charged surface: 126.125  Volume: 219
  Hydrophobic surface: 276.298  Hydrophilic surface: 177.001
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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.