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ENAMINE-ZINC03459677

 MMsINC code: MMs01456444
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-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=38.2139 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: 0.0397745  Sterimol/B1: 2.10613  Sterimol/B2: 3.09041  Sterimol/B3: 5.59167
  Sterimol/B4: 5.72009  Sterimol/L: 21.1301 
 
 Surface and Volume Properties
  Accessible surface: 655.418  Positive charged surface: 379.345  Negative charged surface: 276.073  Volume: 351.875
  Hydrophobic surface: 454.139  Hydrophilic surface: 201.279
 
 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.