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ENAMINE-ZINC04485307

 MMsINC code: MMs01541582
Type: Neutral
Formula: C20H20N4O4
SMILES:   O(C(=O)c1nc2n(c1)C=CC=C2)CC(=O)NCC(=O)Nc1cccc(C)c1C
InChI:   InChI=1/C20H20N4O4/c1-13-6-5-7-15(14(13)2)23-18(25)10-21-19(26)12-28-20(27)16-11-24-9-4-3-8-17(24)22-16/h3-9,11H,10,12H2,1-2H3,(H,21,26)(H,23,25)

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Potential Energy
Epot(MMFF94)=111.076 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 380.404 g/mol  logS: -3.95376  SlogP: 1.90914  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00665502  Sterimol/B1: 2.31192  Sterimol/B2: 3.11865  Sterimol/B3: 3.58961
  Sterimol/B4: 5.36446  Sterimol/L: 23.6074 
 
 Surface and Volume Properties
  Accessible surface: 683.769  Positive charged surface: 405.63  Negative charged surface: 278.139  Volume: 352.125
  Hydrophobic surface: 513.054  Hydrophilic surface: 170.715
 
 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.