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CHEMSTAR-ZINC02169518

 MMsINC code: MMs01080423
Type: Neutral
Formula: C24H30O4
SMILES:   O(C(=O)CC)c1ccc(cc1)C(C(CC)c1ccc(OC(=O)CC)cc1)CC
InChI:   InChI=1/C24H30O4/c1-5-21(17-9-13-19(14-10-17)27-23(25)7-3)22(6-2)18-11-15-20(16-12-18)28-24(26)8-4/h9-16,21-22H,5-8H2,1-4H3/t21-,22+

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=96.4726 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 382.5 g/mol  logS: -7.04764  SlogP: 6.0048  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0454822  Sterimol/B1: 2.37454  Sterimol/B2: 3.5134  Sterimol/B3: 3.9469
  Sterimol/B4: 8.58388  Sterimol/L: 22.1624 
 
 Surface and Volume Properties
  Accessible surface: 719.512  Positive charged surface: 479.271  Negative charged surface: 240.241  Volume: 396.875
  Hydrophobic surface: 568.493  Hydrophilic surface: 151.019
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.