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CHEMBLOCK-ZINC00052475

 MMsINC code: MMs00489773
Type: Neutral
Formula: C11H19NO3
SMILES:   O1C2(CCCCC2)C(O)(N(CC)C1=O)C
InChI:   InChI=1/C11H19NO3/c1-3-12-9(13)15-11(10(12,2)14)7-5-4-6-8-11/h14H,3-8H2,1-2H3/t10-/m1/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=28.2654 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 213.277 g/mol  logS: -1.86176  SlogP: 1.8699  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.196445  Sterimol/B1: 3.12267  Sterimol/B2: 3.54207  Sterimol/B3: 4.04197
  Sterimol/B4: 4.24094  Sterimol/L: 12.3468 
 
 Surface and Volume Properties
  Accessible surface: 398.459  Positive charged surface: 287.02  Negative charged surface: 111.439  Volume: 209.875
  Hydrophobic surface: 287.089  Hydrophilic surface: 111.37
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.