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CHEMBLOCK-ZINC04183366

 MMsINC code: MMs00545699
Type: Neutral
Formula: C24H19N3O4
SMILES:   O1CCN(CC1)c1c2c(C(=O)c3c(cccc3)C2=O)c(N=Nc2ccc(O)cc2)cc1
InChI:   InChI=1/C24H19N3O4/c28-16-7-5-15(6-8-16)25-26-19-9-10-20(27-11-13-31-14-12-27)22-21(19)23(29)17-3-1-2-4-18(17)24(22)30/h1-10,28H,11-14H2/b26-25-

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Potential Energy
Epot(MMFF94)=256.762 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 413.433 g/mol  logS: -5.63474  SlogP: 4.4196  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.128246  Sterimol/B1: 2.63453  Sterimol/B2: 3.51822  Sterimol/B3: 4.23521
  Sterimol/B4: 10.2041  Sterimol/L: 15.9512 
 
 Surface and Volume Properties
  Accessible surface: 621.194  Positive charged surface: 391.23  Negative charged surface: 229.964  Volume: 372.875
  Hydrophobic surface: 500.991  Hydrophilic surface: 120.203
 
 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.