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PUBCHEM-ZINC05930162

 MMsINC code: MMs03448946
Type: Neutral
Formula: C20H30N4O4
SMILES:   O(CCN(C(=O)CCC(=O)Nc1ncccc1)CC(=O)NC1CCCCC1)C
InChI:   InChI=1/C20H30N4O4/c1-28-14-13-24(15-19(26)22-16-7-3-2-4-8-16)20(27)11-10-18(25)23-17-9-5-6-12-21-17/h5-6,9,12,16H,2-4,7-8,10-11,13-15H2,1H3,(H,22,26)(H,21,23,25)

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Potential Energy
Epot(MMFF94)=65.45 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 390.484 g/mol  logS: -2.25686  SlogP: 1.7242  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.040105  Sterimol/B1: 2.14502  Sterimol/B2: 2.76118  Sterimol/B3: 4.43531
  Sterimol/B4: 9.76204  Sterimol/L: 20.7751 
 
 Surface and Volume Properties
  Accessible surface: 715.846  Positive charged surface: 564.623  Negative charged surface: 151.223  Volume: 386.125
  Hydrophobic surface: 598.308  Hydrophilic surface: 117.538
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 5  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.