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CHEMBRIDGE-ZINC04975851

 MMsINC code: MMs00816351
Type: Neutral
Formula: C20H24Cl2N4O2
SMILES:   Clc1cc(NC(=O)NCCCCCCNC(=O)Nc2cc(Cl)ccc2)ccc1
InChI:   InChI=1/C20H24Cl2N4O2/c21-15-7-5-9-17(13-15)25-19(27)23-11-3-1-2-4-12-24-20(28)26-18-10-6-8-16(22)14-18/h5-10,13-14H,1-4,11-12H2,(H2,23,25,27)(H2,24,26,28)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=23.1658 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 423.344 g/mol  logS: -5.5415  SlogP: 5.497  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0114634  Sterimol/B1: 2.097  Sterimol/B2: 2.37799  Sterimol/B3: 4.24518
  Sterimol/B4: 4.91572  Sterimol/L: 27.2185 
 
 Surface and Volume Properties
  Accessible surface: 761.204  Positive charged surface: 438.382  Negative charged surface: 322.822  Volume: 387.75
  Hydrophobic surface: 628.243  Hydrophilic surface: 132.961
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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.