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MAYBRIDGE-ZINC00105801

 MMsINC code: MMs02132501
Type: Neutral
Formula: C7H10Cl3NO
SMILES:   ClC(Cl)(Cl)C(=O)N1CCCCC1
InChI:   InChI=1/C7H10Cl3NO/c8-7(9,10)6(12)11-4-2-1-3-5-11/h1-5H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=53.8863 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 230.522 g/mol  logS: -2.81903  SlogP: 2.789  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.182914  Sterimol/B1: 3.43399  Sterimol/B2: 3.45673  Sterimol/B3: 3.46469
  Sterimol/B4: 4.37121  Sterimol/L: 10.8923 
 
 Surface and Volume Properties
  Accessible surface: 370.208  Positive charged surface: 164.818  Negative charged surface: 205.39  Volume: 182.375
  Hydrophobic surface: 182.943  Hydrophilic surface: 187.265
 
 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.