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MDPI-ZINC03847772

 MMsINC code: MMs02181282
Type: Neutral
Formula: C10H7Cl3O2
SMILES:   ClC(Cl)(Cl)C1OC(=O)c2c(C1)cccc2
InChI:   InChI=1/C10H7Cl3O2/c11-10(12,13)8-5-6-3-1-2-4-7(6)9(14)15-8/h1-4,8H,5H2/t8-/m1/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=56.0485 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 265.523 g/mol  logS: -4.35824  SlogP: 3.55817  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0606932  Sterimol/B1: 2.85907  Sterimol/B2: 2.9081  Sterimol/B3: 3.87628
  Sterimol/B4: 5.88701  Sterimol/L: 12.1153 
 
 Surface and Volume Properties
  Accessible surface: 411.039  Positive charged surface: 127.777  Negative charged surface: 283.262  Volume: 207
  Hydrophobic surface: 191.523  Hydrophilic surface: 219.516
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.