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PUBCHEM-ZINC00652357

 MMsINC code: MMs02720624
Type: Neutral
Formula: C18H19ClN4O4
SMILES:   ClCCC=1C=Nc2n(nc(c2)C(=O)Nc2cc(OC)c(OC)c(OC)c2)C=1
InChI:   InChI=1/C18H19ClN4O4/c1-25-14-6-12(7-15(26-2)17(14)27-3)21-18(24)13-8-16-20-9-11(4-5-19)10-23(16)22-13/h6-10H,4-5H2,1-3H3,(H,21,24)

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Potential Energy
Epot(MMFF94)=129.877 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 390.827 g/mol  logS: -3.53528  SlogP: 3.3469  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0361218  Sterimol/B1: 2.39294  Sterimol/B2: 3.66411  Sterimol/B3: 3.71072
  Sterimol/B4: 9.34651  Sterimol/L: 20.6292 
 
 Surface and Volume Properties
  Accessible surface: 664.667  Positive charged surface: 452.954  Negative charged surface: 211.713  Volume: 348.875
  Hydrophobic surface: 470.368  Hydrophilic surface: 194.299
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 6  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.