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NCID-ZINC01690597

 MMsINC code: MMs02322859
Type: Neutral
Formula: C8H5Cl5O2
SMILES:   Clc1c(OCCO)c(Cl)c(Cl)c(Cl)c1Cl
InChI:   InChI=1/C8H5Cl5O2/c9-3-4(10)6(12)8(15-2-1-14)7(13)5(3)11/h14H,1-2H2

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=56.9726 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 310.391 g/mol  logS: -4.90417  SlogP: 4.3247  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0431084  Sterimol/B1: 2.55095  Sterimol/B2: 2.70383  Sterimol/B3: 4.50527
  Sterimol/B4: 5.1441  Sterimol/L: 12.7252 
 
 Surface and Volume Properties
  Accessible surface: 433.394  Positive charged surface: 149.949  Negative charged surface: 283.445  Volume: 218
  Hydrophobic surface: 380.075  Hydrophilic surface: 53.319
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.