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MAYBRIDGE-ZINC01048092

 MMsINC code: MMs02157377
Type: Neutral
Formula: C23H30O3
SMILES:   O(Cc1c(C)c(C)c(C)c(C)c1C)c1ccc(cc1)CCC(OCC)=O
InChI:   InChI=1/C23H30O3/c1-7-25-23(24)13-10-20-8-11-21(12-9-20)26-14-22-18(5)16(3)15(2)17(4)19(22)6/h8-9,11-12H,7,10,13-14H2,1-6H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=106.266 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 354.49 g/mol  logS: -6.22509  SlogP: 5.56977  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0269188  Sterimol/B1: 3.25781  Sterimol/B2: 3.3785  Sterimol/B3: 4.13559
  Sterimol/B4: 6.30232  Sterimol/L: 21.7419 
 
 Surface and Volume Properties
  Accessible surface: 687.189  Positive charged surface: 444.376  Negative charged surface: 242.813  Volume: 375.375
  Hydrophobic surface: 615.755  Hydrophilic surface: 71.434
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.