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CHEMBRIDGE-ZINC04613940

 MMsINC code: MMs00773185
Type: Neutral
Formula: C24H28N2O4
SMILES:   O(C)c1ccc(cc1)\C=C\C(=O)NCCCCNC(=O)\C=C\c1ccc(OC)cc1
InChI:   InChI=1/C24H28N2O4/c1-29-21-11-5-19(6-12-21)9-15-23(27)25-17-3-4-18-26-24(28)16-10-20-7-13-22(30-2)14-8-20/h5-16H,3-4,17-18H2,1-2H3,(H,25,27)(H,26,28)/b15-9+,16-10+

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=79.0133 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 408.498 g/mol  logS: -4.98742  SlogP: 3.443  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00266981  Sterimol/B1: 2.37435  Sterimol/B2: 2.37841  Sterimol/B3: 2.68256
  Sterimol/B4: 6.31306  Sterimol/L: 28.943 
 
 Surface and Volume Properties
  Accessible surface: 803.027  Positive charged surface: 539.289  Negative charged surface: 263.738  Volume: 414.625
  Hydrophobic surface: 676.398  Hydrophilic surface: 126.629
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.