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NCID-ZINC01627174

 MMsINC code: MMs02273438
Type: Neutral
Formula: C5H8Cl2O
SMILES:   ClCC(=O)CCCCl
InChI:   InChI=1/C5H8Cl2O/c6-3-1-2-5(8)4-7/h1-4H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=12.226 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 155.024 g/mol  logS: -1.53614  SlogP: 1.8133  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0808863  Sterimol/B1: 2.37495  Sterimol/B2: 2.37546  Sterimol/B3: 2.84696
  Sterimol/B4: 3.04265  Sterimol/L: 11.9271 
 
 Surface and Volume Properties
  Accessible surface: 330.265  Positive charged surface: 158.581  Negative charged surface: 171.685  Volume: 133.625
  Hydrophobic surface: 156.354  Hydrophilic surface: 173.911
 
 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.