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NCID-ZINC01708515

 MMsINC code: MMs02336329
Type: Neutral
Formula: C12H19NO5
SMILES:   O(C(=O)C(NC(=O)C)(C(=O)C)CCC(=O)C)CC
InChI:   InChI=1/C12H19NO5/c1-5-18-11(17)12(9(3)15,13-10(4)16)7-6-8(2)14/h5-7H2,1-4H3,(H,13,16)/t12-/m0/s1

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Potential Energy
Epot(MMFF94)=55.7985 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 257.286 g/mol  logS: -1.26696  SlogP: 0.3826  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.204978  Sterimol/B1: 3.46793  Sterimol/B2: 4.30813  Sterimol/B3: 5.11661
  Sterimol/B4: 5.38495  Sterimol/L: 14.3757 
 
 Surface and Volume Properties
  Accessible surface: 498.072  Positive charged surface: 310.47  Negative charged surface: 187.601  Volume: 248.875
  Hydrophobic surface: 363.078  Hydrophilic surface: 134.994
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.