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PUBCHEM-ZINC01458714

 MMsINC code: MMs02808156
Type: Neutral
Formula: C24H24N2O5
SMILES:   O(c1cc2c(cc1)C(=O)N(CC(C)C)C2=O)c1cc2c(cc1)C(=O)N(CC(C)C)C2=
O
InChI:   InChI=1/C24H24N2O5/c1-13(2)11-25-21(27)17-7-5-15(9-19(17)23(25)29)31-16-6-8-18-20(10-16)24(30)26(22(18)28)12-14(3)4/h5-10,13-14H,11-12H2,1-4H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=66.9688 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 420.465 g/mol  logS: -5.72879  SlogP: 3.9829  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0612207  Sterimol/B1: 2.94015  Sterimol/B2: 3.15549  Sterimol/B3: 5.26474
  Sterimol/B4: 8.75715  Sterimol/L: 17.5495 
 
 Surface and Volume Properties
  Accessible surface: 698.705  Positive charged surface: 430.679  Negative charged surface: 268.026  Volume: 393.625
  Hydrophobic surface: 487.39  Hydrophilic surface: 211.315
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.