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PUBCHEM-ZINC05902524

 MMsINC code: MMs03436736
Type: Neutral
Formula: C11H15Cl2NO2
SMILES:   Clc1cc(Cl)ccc1CNC(CO)(CO)C
InChI:   InChI=1/C11H15Cl2NO2/c1-11(6-15,7-16)14-5-8-2-3-9(12)4-10(8)13/h2-4,14-16H,5-7H2,1H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=53.0835 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 264.152 g/mol  logS: -2.51609  SlogP: 2.0927  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.115144  Sterimol/B1: 2.23401  Sterimol/B2: 2.88898  Sterimol/B3: 4.0481
  Sterimol/B4: 6.18089  Sterimol/L: 14.2374 
 
 Surface and Volume Properties
  Accessible surface: 458.458  Positive charged surface: 254.982  Negative charged surface: 203.476  Volume: 235
  Hydrophobic surface: 350.52  Hydrophilic surface: 107.938
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  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


MMs03436737
PUBCHEM-ZINC05902524