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CHEMDIV-ZINC06747978

 MMsINC code: MMs01010292
Type: Neutral
Formula: C23H29NO6
SMILES:   O1CCCC1CN(C(=O)c1ccc(OC)cc1)Cc1cc(OC)c(OC)c(OC)c1
InChI:   InChI=1/C23H29NO6/c1-26-18-9-7-17(8-10-18)23(25)24(15-19-6-5-11-30-19)14-16-12-20(27-2)22(29-4)21(13-16)28-3/h7-10,12-13,19H,5-6,11,14-15H2,1-4H3/t19-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=160.244 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 415.486 g/mol  logS: -4.08946  SlogP: 3.8088  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.147396  Sterimol/B1: 2.10266  Sterimol/B2: 3.04785  Sterimol/B3: 5.7518
  Sterimol/B4: 10.7513  Sterimol/L: 16.7861 
 
 Surface and Volume Properties
  Accessible surface: 698.504  Positive charged surface: 566.022  Negative charged surface: 132.481  Volume: 405.875
  Hydrophobic surface: 635.538  Hydrophilic surface: 62.966
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.