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CHEMBRIDGE-ZINC02085645

 MMsINC code: MMs00701980
Type: Neutral
Formula: C24H20Cl2N4O4
SMILES:   Clc1ccccc1-c1noc(C)c1C(=O)NCCNC(=O)c1c(noc1C)-c1ccccc1Cl
InChI:   InChI=1/C24H20Cl2N4O4/c1-13-19(21(29-33-13)15-7-3-5-9-17(15)25)23(31)27-11-12-28-24(32)20-14(2)34-30-22(20)16-8-4-6-10-18(16)26/h3-10H,11-12H2,1-2H3,(H,27,31)(H,28,32)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=110.589 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 499.354 g/mol  logS: -7.6499  SlogP: 5.08004  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0717911  Sterimol/B1: 2.31263  Sterimol/B2: 4.47483  Sterimol/B3: 4.62949
  Sterimol/B4: 10.2878  Sterimol/L: 16.3922 
 
 Surface and Volume Properties
  Accessible surface: 788.152  Positive charged surface: 368.341  Negative charged surface: 419.812  Volume: 437.5
  Hydrophobic surface: 685.732  Hydrophilic surface: 102.42
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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.