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CHEMDIV-ZINC06767480

 MMsINC code: MMs01017106
Type: Neutral
Formula: C20H26N4O4
SMILES:   O(C)c1c(OC)cc(cc1OC)CNC(=O)C1CCN(CC1)c1nccnc1
InChI:   InChI=1/C20H26N4O4/c1-26-16-10-14(11-17(27-2)19(16)28-3)12-23-20(25)15-4-8-24(9-5-15)18-13-21-6-7-22-18/h6-7,10-11,13,15H,4-5,8-9,12H2,1-3H3,(H,23,25)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=147.579 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 386.452 g/mol  logS: -1.50774  SlogP: 2.3016  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0634703  Sterimol/B1: 2.48096  Sterimol/B2: 3.82606  Sterimol/B3: 4.19129
  Sterimol/B4: 9.01416  Sterimol/L: 20.2338 
 
 Surface and Volume Properties
  Accessible surface: 694.564  Positive charged surface: 600.011  Negative charged surface: 94.5527  Volume: 370.75
  Hydrophobic surface: 591.06  Hydrophilic surface: 103.504
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 6  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.