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ALFAAESAR-ZINC00248760

 MMsINC code: MMs00020722
Type: Neutral
Formula: C10H13ClO
SMILES:   ClC12CC3CC(C1)CC(C2)C3=O
InChI:   InChI=1/C10H13ClO/c11-10-3-6-1-7(4-10)9(12)8(2-6)5-10/h6-8H,1-5H2/t6-,7-,8+,10-

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=30.1815 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 184.666 g/mol  logS: -1.73183  SlogP: 2.7929  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.884834  Sterimol/B1: 2.50647  Sterimol/B2: 3.27815  Sterimol/B3: 4.85689
  Sterimol/B4: 4.94183  Sterimol/L: 9.09775 
 
 Surface and Volume Properties
  Accessible surface: 335.528  Positive charged surface: 204.162  Negative charged surface: 131.367  Volume: 170.25
  Hydrophobic surface: 237.87  Hydrophilic surface: 97.658
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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.