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CHEMBRIDGE-ZINC02749790

 MMsINC code: MMs00715129
Type: Neutral
Formula: C11H11Cl2NO
SMILES:   Clc1cc(ccc1Cl)CNC(=O)C1CC1
InChI:   InChI=1/C11H11Cl2NO/c12-9-4-1-7(5-10(9)13)6-14-11(15)8-2-3-8/h1,4-5,8H,2-3,6H2,(H,14,15)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=27.9202 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 244.121 g/mol  logS: -3.30845  SlogP: 3.286  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0815136  Sterimol/B1: 2.46912  Sterimol/B2: 3.28398  Sterimol/B3: 3.45695
  Sterimol/B4: 6.14643  Sterimol/L: 14.4997 
 
 Surface and Volume Properties
  Accessible surface: 457.175  Positive charged surface: 216.299  Negative charged surface: 240.875  Volume: 218.875
  Hydrophobic surface: 364.25  Hydrophilic surface: 92.925
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.