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CHEMDIV-ZINC02471795

 MMsINC code: MMs00879268
Type: Neutral
Formula: C20H18N4O4
SMILES:   O(C)c1c(OC)cc(cc1OC)C=1NC(=O)c2c(n(nc2)-c2ccccc2)N=1
InChI:   InChI=1/C20H18N4O4/c1-26-15-9-12(10-16(27-2)17(15)28-3)18-22-19-14(20(25)23-18)11-21-24(19)13-7-5-4-6-8-13/h4-11H,1-3H3,(H,22,23,25)

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Potential Energy
Epot(MMFF94)=126.315 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 378.388 g/mol  logS: -4.57566  SlogP: 2.7198  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0243218  Sterimol/B1: 2.31175  Sterimol/B2: 2.57261  Sterimol/B3: 3.23928
  Sterimol/B4: 10.0661  Sterimol/L: 15.8474 
 
 Surface and Volume Properties
  Accessible surface: 623.427  Positive charged surface: 431.635  Negative charged surface: 191.792  Volume: 347.125
  Hydrophobic surface: 514.006  Hydrophilic surface: 109.421
 
 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.