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NCID-ZINC01710995

 MMsINC code: MMs02338145
Type: Neutral
Formula: C20H24O3
SMILES:   OC(C(O)=O)(c1ccc(cc1)C(C)C)c1ccc(cc1)C(C)C
InChI:   InChI=1/C20H24O3/c1-13(2)15-5-9-17(10-6-15)20(23,19(21)22)18-11-7-16(8-12-18)14(3)4/h5-14,23H,1-4H3,(H,21,22)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=117.128 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 312.409 g/mol  logS: -5.92836  SlogP: 4.5654  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.122832  Sterimol/B1: 3.48031  Sterimol/B2: 3.72263  Sterimol/B3: 4.84969
  Sterimol/B4: 6.91046  Sterimol/L: 15.9539 
 
 Surface and Volume Properties
  Accessible surface: 577.477  Positive charged surface: 360.395  Negative charged surface: 217.082  Volume: 323
  Hydrophobic surface: 393.933  Hydrophilic surface: 183.544
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  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


MMs02338146
NCID-ZINC01710995