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ENAMINE-ZINC02620836

 MMsINC code: MMs01255239
Type: Neutral
Formula: C28H28N4O4
SMILES:   O(C)c1c(OC)cc(cc1OC)-c1nc2c(cccc2)c(c1)C(=O)N1CCN(CC1)c1nccc
c1
InChI:   InChI=1/C28H28N4O4/c1-34-24-16-19(17-25(35-2)27(24)36-3)23-18-21(20-8-4-5-9-22(20)30-23)28(33)32-14-12-31(13-15-32)26-10-6-7-11-29-26/h4-11,16-18H,12-15H2,1-3H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=212.232 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 484.556 g/mol  logS: -5.48359  SlogP: 4.285  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.116034  Sterimol/B1: 2.47215  Sterimol/B2: 6.7717  Sterimol/B3: 7.04371
  Sterimol/B4: 7.16406  Sterimol/L: 18.7827 
 
 Surface and Volume Properties
  Accessible surface: 784.224  Positive charged surface: 583.211  Negative charged surface: 190.587  Volume: 464.25
  Hydrophobic surface: 695.742  Hydrophilic surface: 88.482
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 6  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.