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ENAMINE-ZINC03345034

 MMsINC code: MMs01385680
Type: Neutral
Formula: C15H25ClN4O3
SMILES:   ClCC(=O)N(CCCCC)C=1C(=O)NC(=O)N(CCCC)C=1N
InChI:   InChI=1/C15H25ClN4O3/c1-3-5-7-9-19(11(21)10-16)12-13(17)20(8-6-4-2)15(23)18-14(12)22/h3-10,17H2,1-2H3,(H,18,22,23)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=42.9275 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 344.843 g/mol  logS: -3.85421  SlogP: 1.7237  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.118665  Sterimol/B1: 2.36424  Sterimol/B2: 2.87585  Sterimol/B3: 5.57359
  Sterimol/B4: 9.32073  Sterimol/L: 17.2952 
 
 Surface and Volume Properties
  Accessible surface: 605.669  Positive charged surface: 390.141  Negative charged surface: 215.528  Volume: 324.625
  Hydrophobic surface: 330.444  Hydrophilic surface: 275.225
 
 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.