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CHEMBLOCK-ZINC02319188

 MMsINC code: MMs00531145
Type: Neutral
Formula: C20H18Cl2N2O3
SMILES:   Clc1cc(Cl)ccc1OCCCC(=O)Nc1cc(OC)cc2c1nccc2
InChI:   InChI=1/C20H18Cl2N2O3/c1-26-15-10-13-4-2-8-23-20(13)17(12-15)24-19(25)5-3-9-27-18-7-6-14(21)11-16(18)22/h2,4,6-8,10-12H,3,5,9H2,1H3,(H,24,25)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=103.717 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 405.281 g/mol  logS: -5.62288  SlogP: 5.3479  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0104628  Sterimol/B1: 2.53968  Sterimol/B2: 2.56899  Sterimol/B3: 3.44148
  Sterimol/B4: 9.27992  Sterimol/L: 20.8431 
 
 Surface and Volume Properties
  Accessible surface: 681.035  Positive charged surface: 392.75  Negative charged surface: 283.106  Volume: 358.375
  Hydrophobic surface: 614.993  Hydrophilic surface: 66.042
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.