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CHEMDIV-ZINC02952041

 MMsINC code: MMs00897343
Type: Neutral
Formula: C24H26N4O3
SMILES:   O=C1N(CCCCCC(=O)NCCc2c3c([nH]c2)cccc3)C(=O)Nc2c1cccc2
InChI:   InChI=1/C24H26N4O3/c29-22(25-14-13-17-16-26-20-10-5-3-8-18(17)20)12-2-1-7-15-28-23(30)19-9-4-6-11-21(19)27-24(28)31/h3-6,8-11,16,26H,1-2,7,12-15H2,(H,25,29)(H,27,31)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=33.5189 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 418.497 g/mol  logS: -4.61098  SlogP: 4.07487  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0407006  Sterimol/B1: 2.44143  Sterimol/B2: 3.85816  Sterimol/B3: 4.38491
  Sterimol/B4: 6.83137  Sterimol/L: 23.7208 
 
 Surface and Volume Properties
  Accessible surface: 747.052  Positive charged surface: 476.006  Negative charged surface: 266.327  Volume: 407.25
  Hydrophobic surface: 560.933  Hydrophilic surface: 186.119
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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: 1
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Ions/Tautomers related molecules: no related molecules available.