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NCID-ZINC01767582

 MMsINC code: MMs02370236
Type: Neutral
Formula: C20H24O4
SMILES:   OC(=O)CCCCc1c2c(cccc2)c(cc1)CCCCC(O)=O
InChI:   InChI=1/C20H24O4/c21-19(22)11-5-1-7-15-13-14-16(8-2-6-12-20(23)24)18-10-4-3-9-17(15)18/h3-4,9-10,13-14H,1-2,5-8,11-12H2,(H,21,22)(H,23,24)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=44.5873 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 328.408 g/mol  logS: -5.14922  SlogP: 4.43454  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0337273  Sterimol/B1: 2.42507  Sterimol/B2: 2.97945  Sterimol/B3: 3.48746
  Sterimol/B4: 7.20939  Sterimol/L: 21.5404 
 
 Surface and Volume Properties
  Accessible surface: 623.194  Positive charged surface: 389.561  Negative charged surface: 224.551  Volume: 328.375
  Hydrophobic surface: 423.2  Hydrophilic surface: 199.994
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules


MMs02370237
NCID-ZINC01767582