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ACROSORGANICS-ZINC03860433

 MMsINC code: MMs00015401
Type: Neutral
Formula: C24H38O4
SMILES:   O(C(=O)c1ccccc1C(OCC(CCCC)CC)=O)CC(CCCC)CC
InChI:   InChI=1/C24H38O4/c1-5-9-13-19(7-3)17-27-23(25)21-15-11-12-16-22(21)24(26)28-18-20(8-4)14-10-6-2/h11-12,15-16,19-20H,5-10,13-14,17-18H2,1-4H3/t19-,20-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=72.9973 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 390.564 g/mol  logS: -7.7316  SlogP: 6.433  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0770319  Sterimol/B1: 2.4492  Sterimol/B2: 4.00916  Sterimol/B3: 5.06309
  Sterimol/B4: 12.6403  Sterimol/L: 17.2351 
 
 Surface and Volume Properties
  Accessible surface: 789.596  Positive charged surface: 561.306  Negative charged surface: 228.29  Volume: 426.5
  Hydrophobic surface: 647.375  Hydrophilic surface: 142.221
 
 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: 0
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Ions/Tautomers related molecules: no related molecules available.