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PUBCHEM-ZINC01353283

 MMsINC code: MMs02798772
Type: Neutral
Formula: C23H29N3O5
SMILES:   O(C)c1c(OC)cc(cc1OC)C(=O)Nc1cnc(NC(=O)C2CCCCC2)cc1C
InChI:   InChI=1/C23H29N3O5/c1-14-10-20(26-22(27)15-8-6-5-7-9-15)24-13-17(14)25-23(28)16-11-18(29-2)21(31-4)19(12-16)30-3/h10-13,15H,5-9H2,1-4H3,(H,25,28)(H,24,26,27)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=125.774 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 427.501 g/mol  logS: -4.77621  SlogP: 4.18692  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0231826  Sterimol/B1: 2.18527  Sterimol/B2: 2.32388  Sterimol/B3: 4.32924
  Sterimol/B4: 9.63462  Sterimol/L: 22.4452 
 
 Surface and Volume Properties
  Accessible surface: 747.555  Positive charged surface: 590.995  Negative charged surface: 156.56  Volume: 410.25
  Hydrophobic surface: 646.094  Hydrophilic surface: 101.461
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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: 1
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Ions/Tautomers related molecules: no related molecules available.