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ENAMINE-ZINC02662952

 MMsINC code: MMs01283452
Type: Neutral
Formula: C19H16Cl2N2O4
SMILES:   Clc1cc(Cl)cnc1NC(=O)C(OC(=O)Cc1c2c(oc1)cc(cc2)C)C
InChI:   InChI=1/C19H16Cl2N2O4/c1-10-3-4-14-12(9-26-16(14)5-10)6-17(24)27-11(2)19(25)23-18-15(21)7-13(20)8-22-18/h3-5,7-9,11H,6H2,1-2H3,(H,22,23,25)/t11-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=80.5802 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 407.253 g/mol  logS: -6.59267  SlogP: 4.55589  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0344561  Sterimol/B1: 3.01804  Sterimol/B2: 3.51727  Sterimol/B3: 3.80305
  Sterimol/B4: 6.18802  Sterimol/L: 21.4064 
 
 Surface and Volume Properties
  Accessible surface: 665.716  Positive charged surface: 330.515  Negative charged surface: 332.134  Volume: 351.875
  Hydrophobic surface: 559.211  Hydrophilic surface: 106.505
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.