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ACROSORGANICS-ZINC02579388

 MMsINC code: MMs00014780
Type: Neutral
Formula: C12H21NO5
SMILES:   OC1CC(N(CC1)C(OC(C)(C)C)=O)C(OC)=O
InChI:   InChI=1/C12H21NO5/c1-12(2,3)18-11(16)13-6-5-8(14)7-9(13)10(15)17-4/h8-9,14H,5-7H2,1-4H3/t8-,9+/m1/s1

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Potential Energy
Epot(MMFF94)=65.5425 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 259.302 g/mol  logS: -1.47358  SlogP: 0.9198  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.128824  Sterimol/B1: 2.26742  Sterimol/B2: 4.72044  Sterimol/B3: 4.90016
  Sterimol/B4: 6.48701  Sterimol/L: 12.4799 
 
 Surface and Volume Properties
  Accessible surface: 483.474  Positive charged surface: 374.371  Negative charged surface: 109.103  Volume: 250
  Hydrophobic surface: 349.804  Hydrophilic surface: 133.67
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: no related molecules available.