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NCID-ZINC01562425

 MMsINC code: MMs02224398
Type: Neutral
Formula: C4H8Cl2O
SMILES:   ClC(CO)(CCl)C
InChI:   InChI=1/C4H8Cl2O/c1-4(6,2-5)3-7/h7H,2-3H2,1H3/t4-/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=22.6728 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 143.013 g/mol  logS: -1.24577  SlogP: 1.6349  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.292381  Sterimol/B1: 2.10857  Sterimol/B2: 2.58194  Sterimol/B3: 4.36623
  Sterimol/B4: 4.8242  Sterimol/L: 9.33906 
 
 Surface and Volume Properties
  Accessible surface: 294.58  Positive charged surface: 151.173  Negative charged surface: 143.407  Volume: 121.375
  Hydrophobic surface: 117.866  Hydrophilic surface: 176.714
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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.