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ENAMINE-ZINC05072596

 MMsINC code: MMs01583700
Type: Neutral
Formula: C24H20N4O2
SMILES:   O(Cc1nc2c(n1-c1[nH]nc(c1)-c1ccccc1)cccc2)c1ccc(OC)cc1
InChI:   InChI=1/C24H20N4O2/c1-29-18-11-13-19(14-12-18)30-16-24-25-20-9-5-6-10-22(20)28(24)23-15-21(26-27-23)17-7-3-2-4-8-17/h2-15H,16H2,1H3,(H,26,27)

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Potential Energy
Epot(MMFF94)=118.099 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 396.45 g/mol  logS: -6.36541  SlogP: 5.2696  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0932602  Sterimol/B1: 2.75088  Sterimol/B2: 3.29588  Sterimol/B3: 4.59616
  Sterimol/B4: 10.4406  Sterimol/L: 17.729 
 
 Surface and Volume Properties
  Accessible surface: 689.72  Positive charged surface: 404.097  Negative charged surface: 285.622  Volume: 383.5
  Hydrophobic surface: 591.189  Hydrophilic surface: 98.531
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 5  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: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.