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ACROSORGANICS-ZINC02242622

 MMsINC code: MMs00013221
Type: Neutral
Formula: C4H9ClO2
SMILES:   ClCOCCOC
InChI:   InChI=1/C4H9ClO2/c1-6-2-3-7-4-5/h2-4H2,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=18.9491 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 124.567 g/mol  logS: -0.3466  SlogP: 0.8457  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0977594  Sterimol/B1: 2.65459  Sterimol/B2: 2.7784  Sterimol/B3: 3.33387
  Sterimol/B4: 3.69722  Sterimol/L: 9.84754 
 
 Surface and Volume Properties
  Accessible surface: 309.045  Positive charged surface: 223.302  Negative charged surface: 85.7433  Volume: 116.625
  Hydrophobic surface: 207.232  Hydrophilic surface: 101.813
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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.