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CHEMDIV-ZINC04904705

 MMsINC code: MMs00962825
Type: Neutral
Formula: C24H24N4O2
SMILES:   O=C1N(C=C(c2c1n(c1c2cccc1)C)C(=O)Nc1nccc(c1)C)C1CCCC1
InChI:   InChI=1/C24H24N4O2/c1-15-11-12-25-20(13-15)26-23(29)18-14-28(16-7-3-4-8-16)24(30)22-21(18)17-9-5-6-10-19(17)27(22)2/h5-6,9-14,16H,3-4,7-8H2,1-2H3,(H,25,26,29)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=115.647 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 400.482 g/mol  logS: -4.6458  SlogP: 4.61892  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0511913  Sterimol/B1: 2.66671  Sterimol/B2: 4.23176  Sterimol/B3: 7.2093
  Sterimol/B4: 7.55595  Sterimol/L: 14.8573 
 
 Surface and Volume Properties
  Accessible surface: 658.533  Positive charged surface: 437.166  Negative charged surface: 216.226  Volume: 387.125
  Hydrophobic surface: 578.785  Hydrophilic surface: 79.748
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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: 0
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Ions/Tautomers related molecules: no related molecules available.