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ENAMINE-ZINC03369565

 MMsINC code: MMs01400906
Type: Neutral
Formula: C17H15Cl2NO4
SMILES:   Clc1c(cccc1Cl)C(OCC(=O)Nc1ccccc1OCC)=O
InChI:   InChI=1/C17H15Cl2NO4/c1-2-23-14-9-4-3-8-13(14)20-15(21)10-24-17(22)11-6-5-7-12(18)16(11)19/h3-9H,2,10H2,1H3,(H,20,21)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=97.653 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 368.216 g/mol  logS: -5.60921  SlogP: 4.1876  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0161626  Sterimol/B1: 2.16634  Sterimol/B2: 2.31037  Sterimol/B3: 3.52477
  Sterimol/B4: 8.38102  Sterimol/L: 18.5886 
 
 Surface and Volume Properties
  Accessible surface: 612.51  Positive charged surface: 324.052  Negative charged surface: 288.457  Volume: 316.75
  Hydrophobic surface: 515.354  Hydrophilic surface: 97.156
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: no related molecules available.