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CHEMBLOCK-ZINC04625423

 MMsINC code: MMs00565176
Type: Neutral
Formula: C15H16Cl2N4O2
SMILES:   Clc1cc(NC(=O)C(=O)NCCCn2ccnc2C)cc(Cl)c1
InChI:   InChI=1/C15H16Cl2N4O2/c1-10-18-4-6-21(10)5-2-3-19-14(22)15(23)20-13-8-11(16)7-12(17)9-13/h4,6-9H,2-3,5H2,1H3,(H,19,22)(H,20,23)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=53.3009 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 355.225 g/mol  logS: -3.71475  SlogP: 2.90972  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0517715  Sterimol/B1: 2.10686  Sterimol/B2: 2.84852  Sterimol/B3: 5.59886
  Sterimol/B4: 6.23864  Sterimol/L: 19.133 
 
 Surface and Volume Properties
  Accessible surface: 613.436  Positive charged surface: 327.193  Negative charged surface: 286.243  Volume: 309.875
  Hydrophobic surface: 480.652  Hydrophilic surface: 132.784
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.