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NCID-ZINC01580709

 MMsINC code: MMs02238269
Type: Neutral
Formula: C24H24Cl2N4
SMILES:   Clc1cc2nccc(NCCCCCCNc3c4c(ncc3)cc(Cl)cc4)c2cc1
InChI:   InChI=1/C24H24Cl2N4/c25-17-5-7-19-21(9-13-29-23(19)15-17)27-11-3-1-2-4-12-28-22-10-14-30-24-16-18(26)6-8-20(22)24/h5-10,13-16H,1-4,11-12H2,(H,27,29)(H,28,30)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=93.1075 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 439.39 g/mol  logS: -6.22488  SlogP: 7.1742  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00463529  Sterimol/B1: 2.36985  Sterimol/B2: 2.3848  Sterimol/B3: 3.15498
  Sterimol/B4: 7.33526  Sterimol/L: 25.5616 
 
 Surface and Volume Properties
  Accessible surface: 750.022  Positive charged surface: 433.534  Negative charged surface: 305.417  Volume: 418.375
  Hydrophobic surface: 688.343  Hydrophilic surface: 61.679
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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: 1
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Ions/Tautomers related molecules: no related molecules available.