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ENAMINE-ZINC06886390

 MMsINC code: MMs01711172
Type: Neutral
Formula: C22H22N4O4
SMILES:   O(C(=O)c1c(n(nc1C)-c1ccccc1)C)CC(=O)NC(=O)NCc1ccccc1
InChI:   InChI=1/C22H22N4O4/c1-15-20(16(2)26(25-15)18-11-7-4-8-12-18)21(28)30-14-19(27)24-22(29)23-13-17-9-5-3-6-10-17/h3-12H,13-14H2,1-2H3,(H2,23,24,27,29)

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Potential Energy
Epot(MMFF94)=82.045 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 406.442 g/mol  logS: -4.7163  SlogP: 2.93834  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.033426  Sterimol/B1: 2.22275  Sterimol/B2: 4.07878  Sterimol/B3: 4.2347
  Sterimol/B4: 7.72426  Sterimol/L: 23.4455 
 
 Surface and Volume Properties
  Accessible surface: 735.789  Positive charged surface: 424.599  Negative charged surface: 311.19  Volume: 384.875
  Hydrophobic surface: 574.542  Hydrophilic surface: 161.247
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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.