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PUBCHEM-ZINC01636548

 MMsINC code: MMs02817189
Type: Neutral
Formula: C25H20Cl2N4O2
SMILES:   Clc1cc(Cl)ccc1O\C(=N\CC(=O)n1ccnc1)\CN(c1ccccc1)c1ccccc1
InChI:   InChI=1/C25H20Cl2N4O2/c26-19-11-12-23(22(27)15-19)33-24(29-16-25(32)30-14-13-28-18-30)17-31(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-15,18H,16-17H2/b29-24-

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=175.659 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 479.367 g/mol  logS: -7.51988  SlogP: 6.1459  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.24448  Sterimol/B1: 3.43961  Sterimol/B2: 4.56679  Sterimol/B3: 6.13932
  Sterimol/B4: 10.1351  Sterimol/L: 13.7739 
 
 Surface and Volume Properties
  Accessible surface: 728.028  Positive charged surface: 372.681  Negative charged surface: 355.347  Volume: 435.625
  Hydrophobic surface: 657.633  Hydrophilic surface: 70.395
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.