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CHEMDIV-ZINC06747976

 MMsINC code: MMs01010290
Type: Neutral
Formula: C23H29NO5
SMILES:   O1CCCC1CN(C(=O)c1ccc(cc1)C)Cc1cc(OC)c(OC)c(OC)c1
InChI:   InChI=1/C23H29NO5/c1-16-7-9-18(10-8-16)23(25)24(15-19-6-5-11-29-19)14-17-12-20(26-2)22(28-4)21(13-17)27-3/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)=147.865 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 399.487 g/mol  logS: -4.513  SlogP: 4.10862  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.143854  Sterimol/B1: 2.68561  Sterimol/B2: 2.80277  Sterimol/B3: 5.73602
  Sterimol/B4: 9.84305  Sterimol/L: 16.5559 
 
 Surface and Volume Properties
  Accessible surface: 689.523  Positive charged surface: 535.141  Negative charged surface: 154.382  Volume: 397.625
  Hydrophobic surface: 636.968  Hydrophilic surface: 52.555
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 5  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.