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ACROSORGANICS-ZINC02391876

 MMsINC code: MMs00013621
Type: Neutral
Formula: C12H21NO6
SMILES:   O(C(C)(C)C)C(=O)NC(CCC(OC)=O)C(OC)=O
InChI:   InChI=1/C12H21NO6/c1-12(2,3)19-11(16)13-8(10(15)18-5)6-7-9(14)17-4/h8H,6-7H2,1-5H3,(H,13,16)/t8-/m0/s1

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Potential Energy
Epot(MMFF94)=35.8968 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 275.301 g/mol  logS: -1.72159  SlogP: 1.0059  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0660377  Sterimol/B1: 3.36964  Sterimol/B2: 3.52048  Sterimol/B3: 5.54156
  Sterimol/B4: 6.60577  Sterimol/L: 14.7849 
 
 Surface and Volume Properties
  Accessible surface: 548.296  Positive charged surface: 413.554  Negative charged surface: 134.742  Volume: 263.125
  Hydrophobic surface: 385.564  Hydrophilic surface: 162.732
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: no related molecules available.