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NCID-ZINC04769359

 MMsINC code: MMs02402124
Type: Neutral
Formula: C20H22N4O4
SMILES:   O(CCCCOC(=O)NC(=N)c1ccccc1)C(=O)NC(=N)c1ccccc1
InChI:   InChI=1/C20H22N4O4/c21-17(15-9-3-1-4-10-15)23-19(25)27-13-7-8-14-28-20(26)24-18(22)16-11-5-2-6-12-16/h1-6,9-12H,7-8,13-14H2,(H2,21,23,25)(H2,22,24,26)

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Potential Energy
Epot(MMFF94)=53.4165 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 382.42 g/mol  logS: -5.2048  SlogP: 3.27014  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00292579  Sterimol/B1: 2.32695  Sterimol/B2: 2.50679  Sterimol/B3: 3.46416
  Sterimol/B4: 5.19818  Sterimol/L: 25.6389 
 
 Surface and Volume Properties
  Accessible surface: 710.232  Positive charged surface: 433.137  Negative charged surface: 277.095  Volume: 362.5
  Hydrophobic surface: 515.416  Hydrophilic surface: 194.816
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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.