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ENAMINE-ZINC03459680

 MMsINC code: MMs01456446
Type: Neutral
Formula: C20H20N4O4
SMILES:   O=C1N(CC(=O)NC(=O)NCc2ccccc2)C(=O)NC1(C)c1ccccc1
InChI:   InChI=1/C20H20N4O4/c1-20(15-10-6-3-7-11-15)17(26)24(19(28)23-20)13-16(25)22-18(27)21-12-14-8-4-2-5-9-14/h2-11H,12-13H2,1H3,(H,23,28)(H2,21,22,25,27)/t20-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=39.1257 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 380.404 g/mol  logS: -4.2986  SlogP: 2.0575  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0537045  Sterimol/B1: 2.77033  Sterimol/B2: 2.79693  Sterimol/B3: 4.71731
  Sterimol/B4: 7.35282  Sterimol/L: 18.878 
 
 Surface and Volume Properties
  Accessible surface: 655.554  Positive charged surface: 385.687  Negative charged surface: 269.867  Volume: 350.5
  Hydrophobic surface: 452.682  Hydrophilic surface: 202.872
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.