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ACROSORGANICS-ZINC01586735

 MMsINC code: MMs00009571
Type: Neutral
Formula: C5H9ClO
SMILES:   ClCCCC(=O)C
InChI:   InChI=1/C5H9ClO/c1-5(7)3-2-4-6/h2-4H2,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=4.65314 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 120.579 g/mol  logS: -0.77822  SlogP: 1.5944  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0849587  Sterimol/B1: 2.3517  Sterimol/B2: 2.37528  Sterimol/B3: 2.37533
  Sterimol/B4: 3.58039  Sterimol/L: 10.8584 
 
 Surface and Volume Properties
  Accessible surface: 303.249  Positive charged surface: 171.771  Negative charged surface: 131.479  Volume: 117.75
  Hydrophobic surface: 194.536  Hydrophilic surface: 108.713
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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.