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PUBCHEM-ZINC02572089

 MMsINC code: MMs02903065
Type: Neutral
Formula: C22H20O2
SMILES:   OC(=O)CCCCCc1c2c3c4c(cc2)cccc4ccc3cc1
InChI:   InChI=1/C22H20O2/c23-20(24)8-3-1-2-5-15-9-10-18-12-11-16-6-4-7-17-13-14-19(15)22(18)21(16)17/h4,6-7,9-14H,1-3,5,8H2,(H,23,24)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=106.658 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 316.4 g/mol  logS: -7.92847  SlogP: 5.77147  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.049137  Sterimol/B1: 2.89414  Sterimol/B2: 3.65285  Sterimol/B3: 3.86356
  Sterimol/B4: 7.80431  Sterimol/L: 17.9173 
 
 Surface and Volume Properties
  Accessible surface: 585.32  Positive charged surface: 329.203  Negative charged surface: 223.717  Volume: 321.625
  Hydrophobic surface: 486.455  Hydrophilic surface: 98.865
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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


MMs02903066
PUBCHEM-ZINC02572089