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CHEMBLOCK-ZINC05290006

 MMsINC code: MMs00580942
Type: Neutral
Formula: C11H15ClO3
SMILES:   ClCC(=O)C1CC(OC12CCCCC2)=O
InChI:   InChI=1/C11H15ClO3/c12-7-9(13)8-6-10(14)15-11(8)4-2-1-3-5-11/h8H,1-7H2/t8-/m1/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=37.3886 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 230.691 g/mol  logS: -2.35372  SlogP: 2.0603  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.287192  Sterimol/B1: 3.32202  Sterimol/B2: 3.34858  Sterimol/B3: 4.32618
  Sterimol/B4: 6.34961  Sterimol/L: 10.6049 
 
 Surface and Volume Properties
  Accessible surface: 405.725  Positive charged surface: 233.941  Negative charged surface: 171.784  Volume: 207.75
  Hydrophobic surface: 255.668  Hydrophilic surface: 150.057
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.