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PUBCHEM-ZINC03210658

 MMsINC code: MMs03007983
Type: Neutral
Formula: C16H14ClN3O4
SMILES:   Clc1ccccc1C(=O)NCC(=O)N\N=C\c1ccc(O)cc1O
InChI:   InChI=1/C16H14ClN3O4/c17-13-4-2-1-3-12(13)16(24)18-9-15(23)20-19-8-10-5-6-11(21)7-14(10)22/h1-8,21-22H,9H2,(H,18,24)(H,20,23)/b19-8+

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=107.204 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 347.758 g/mol  logS: -3.72111  SlogP: 1.6313  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00301218  Sterimol/B1: 2.36264  Sterimol/B2: 2.38744  Sterimol/B3: 2.55259
  Sterimol/B4: 6.49931  Sterimol/L: 19.7734 
 
 Surface and Volume Properties
  Accessible surface: 593.237  Positive charged surface: 334.997  Negative charged surface: 258.24  Volume: 301.625
  Hydrophobic surface: 395.166  Hydrophilic surface: 198.071
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 5  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.