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NCID-ZINC01613190

 MMsINC code: MMs02263367
Type: Neutral
Formula: C11H21NO4
SMILES:   O(C(=O)CNC(OC(C)(C)C)=O)CCCC
InChI:   InChI=1/C11H21NO4/c1-5-6-7-15-9(13)8-12-10(14)16-11(2,3)4/h5-8H2,1-4H3,(H,12,14)

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Potential Energy
Epot(MMFF94)=21.7047 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 231.292 g/mol  logS: -2.27393  SlogP: 1.8544  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0324348  Sterimol/B1: 2.64783  Sterimol/B2: 3.62431  Sterimol/B3: 3.62463
  Sterimol/B4: 3.73666  Sterimol/L: 18.0896 
 
 Surface and Volume Properties
  Accessible surface: 514.577  Positive charged surface: 379.017  Negative charged surface: 135.561  Volume: 237.875
  Hydrophobic surface: 341.717  Hydrophilic surface: 172.86
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.