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ENAMINE-ZINC03357874

 MMsINC code: MMs01393978
Type: Neutral
Formula: C19H16ClN3O4
SMILES:   Clc1ccccc1NC(=O)C1C(NC(=O)NC1=C)c1ccc(cc1)C(O)=O
InChI:   InChI=1/C19H16ClN3O4/c1-10-15(17(24)22-14-5-3-2-4-13(14)20)16(23-19(27)21-10)11-6-8-12(9-7-11)18(25)26/h2-9,15-16H,1H2,(H,22,24)(H,25,26)(H2,21,23,27)/t15-,16+/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=75.2747 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 385.807 g/mol  logS: -4.53945  SlogP: 3.2562  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0819027  Sterimol/B1: 2.49033  Sterimol/B2: 2.53713  Sterimol/B3: 6.22735
  Sterimol/B4: 6.32616  Sterimol/L: 18.2904 
 
 Surface and Volume Properties
  Accessible surface: 593.417  Positive charged surface: 309.956  Negative charged surface: 283.461  Volume: 334.875
  Hydrophobic surface: 369.277  Hydrophilic surface: 224.14
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  Hydrogen bond acceptors: 4  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


MMs01393979
ENAMINE-ZINC03357874