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CHEMDIV-ZINC02941674

 MMsINC code: MMs00895708
Type: Neutral
Formula: C24H25N3O3
SMILES:   O(C)c1cc(N2N=C(c3c(cccc3)C2=O)C(=O)NCCC=2CCCCC=2)ccc1
InChI:   InChI=1/C24H25N3O3/c1-30-19-11-7-10-18(16-19)27-24(29)21-13-6-5-12-20(21)22(26-27)23(28)25-15-14-17-8-3-2-4-9-17/h5-8,10-13,16H,2-4,9,14-15H2,1H3,(H,25,28)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=129.153 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 403.482 g/mol  logS: -6.09962  SlogP: 4.0664  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0455724  Sterimol/B1: 2.22888  Sterimol/B2: 2.65047  Sterimol/B3: 4.65513
  Sterimol/B4: 11.8333  Sterimol/L: 18.9556 
 
 Surface and Volume Properties
  Accessible surface: 705.721  Positive charged surface: 482.382  Negative charged surface: 223.338  Volume: 394.75
  Hydrophobic surface: 608.1  Hydrophilic surface: 97.621
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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.