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CHEMBRIDGE-ZINC00672752

 MMsINC code: MMs00639295
Type: Neutral
Formula: C20H20Cl2N2O2
SMILES:   Clc1ccccc1C(=O)NC1CCCCC1NC(=O)c1ccccc1Cl
InChI:   InChI=1/C20H20Cl2N2O2/c21-15-9-3-1-7-13(15)19(25)23-17-11-5-6-12-18(17)24-20(26)14-8-2-4-10-16(14)22/h1-4,7-10,17-18H,5-6,11-12H2,(H,23,25)(H,24,26)/t17-,18+

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=85.1373 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 391.298 g/mol  logS: -5.89598  SlogP: 4.4644  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.122215  Sterimol/B1: 2.53901  Sterimol/B2: 3.03108  Sterimol/B3: 6.44421
  Sterimol/B4: 8.35523  Sterimol/L: 15.1658 
 
 Surface and Volume Properties
  Accessible surface: 622.515  Positive charged surface: 312.878  Negative charged surface: 309.637  Volume: 355
  Hydrophobic surface: 585.347  Hydrophilic surface: 37.168
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.