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ENAMINE-ZINC05072592

 MMsINC code: MMs01583694
Type: Neutral
Formula: C24H20N4O2
SMILES:   O(Cc1nc2c(n1-c1[nH]nc(c1)-c1ccccc1)cccc2)c1cc(OC)ccc1
InChI:   InChI=1/C24H20N4O2/c1-29-18-10-7-11-19(14-18)30-16-24-25-20-12-5-6-13-22(20)28(24)23-15-21(26-27-23)17-8-3-2-4-9-17/h2-15H,16H2,1H3,(H,26,27)

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Potential Energy
Epot(MMFF94)=117.013 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: 0.115424  Sterimol/B1: 2.33531  Sterimol/B2: 2.93725  Sterimol/B3: 5.26249
  Sterimol/B4: 11.1174  Sterimol/L: 16.8087 
 
 Surface and Volume Properties
  Accessible surface: 688.722  Positive charged surface: 408.319  Negative charged surface: 280.403  Volume: 381.75
  Hydrophobic surface: 590.372  Hydrophilic surface: 98.35
 
 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.