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NCID-ZINC01696606

 MMsINC code: MMs02327342
Type: Neutral
Formula: C13H22N2O5
SMILES:   O(C(=O)C1(NC(=O)C(NC(=O)C)CO)CCCC1)CC
InChI:   InChI=1/C13H22N2O5/c1-3-20-12(19)13(6-4-5-7-13)15-11(18)10(8-16)14-9(2)17/h10,16H,3-8H2,1-2H3,(H,14,17)(H,15,18)/t10-/m0/s1

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Potential Energy
Epot(MMFF94)=73.6931 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 286.328 g/mol  logS: -1.4318  SlogP: -0.5245  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.190538  Sterimol/B1: 2.57511  Sterimol/B2: 3.12857  Sterimol/B3: 4.61392
  Sterimol/B4: 8.12232  Sterimol/L: 13.6565 
 
 Surface and Volume Properties
  Accessible surface: 518.222  Positive charged surface: 379.106  Negative charged surface: 139.116  Volume: 271.875
  Hydrophobic surface: 381.211  Hydrophilic surface: 137.011
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  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.