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CHEMDIV-ZINC03661711

 MMsINC code: MMs00915842
Type: Neutral
Formula: C22H24N2O6
SMILES:   O1c2cc(ccc2OC1)CNC(=O)CCCCC(=O)NCc1cc2OCOc2cc1
InChI:   InChI=1/C22H24N2O6/c25-21(23-11-15-5-7-17-19(9-15)29-13-27-17)3-1-2-4-22(26)24-12-16-6-8-18-20(10-16)30-14-28-18/h5-10H,1-4,11-14H2,(H,23,25)(H,24,26)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=60.3913 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 412.442 g/mol  logS: -3.54906  SlogP: 3.1698  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0218907  Sterimol/B1: 2.42696  Sterimol/B2: 3.33788  Sterimol/B3: 4.20715
  Sterimol/B4: 5.2031  Sterimol/L: 25.4829 
 
 Surface and Volume Properties
  Accessible surface: 746.223  Positive charged surface: 525.939  Negative charged surface: 220.284  Volume: 384.375
  Hydrophobic surface: 528.06  Hydrophilic surface: 218.163
 
 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.