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PUBCHEM-ZINC05523139

 MMsINC code: MMs03296644
Type: Neutral
Formula: C22H29NO4
SMILES:   O(C)c1cc(ccc1OC)CN1Cc2cc(OC)c(OC)cc2CC1(C)C
InChI:   InChI=1/C22H29NO4/c1-22(2)12-16-10-20(26-5)21(27-6)11-17(16)14-23(22)13-15-7-8-18(24-3)19(9-15)25-4/h7-11H,12-14H2,1-6H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=146.333 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 371.477 g/mol  logS: -4.06404  SlogP: 4.59067  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.177023  Sterimol/B1: 2.43157  Sterimol/B2: 3.76359  Sterimol/B3: 6.74268
  Sterimol/B4: 9.0179  Sterimol/L: 17.0819 
 
 Surface and Volume Properties
  Accessible surface: 649.419  Positive charged surface: 522.277  Negative charged surface: 127.142  Volume: 373.5
  Hydrophobic surface: 575.551  Hydrophilic surface: 73.868
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 5  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


MMs03296645
PUBCHEM-ZINC05523139