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CHEMSTAR-ZINC02855470

 MMsINC code: MMs01082513
Type: Neutral
Formula: C24H22N2O5
SMILES:   O(C)c1cc(ccc1OC)CN1c2c(cccc2)C(O)(CC(=O)c2ncccc2)C1=O
InChI:   InChI=1/C24H22N2O5/c1-30-21-11-10-16(13-22(21)31-2)15-26-19-9-4-3-7-17(19)24(29,23(26)28)14-20(27)18-8-5-6-12-25-18/h3-13,29H,14-15H2,1-2H3/t24-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=134.699 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 418.449 g/mol  logS: -4.14545  SlogP: 3.6841  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.182068  Sterimol/B1: 2.29017  Sterimol/B2: 4.21255  Sterimol/B3: 5.11392
  Sterimol/B4: 11.7696  Sterimol/L: 15.4075 
 
 Surface and Volume Properties
  Accessible surface: 676.263  Positive charged surface: 468.073  Negative charged surface: 208.19  Volume: 391.625
  Hydrophobic surface: 569.465  Hydrophilic surface: 106.798
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.