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PUBCHEM-ZINC05923068

 MMsINC code: MMs03444884
Type: Neutral
Formula: C19H24O3
SMILES:   O(C)c1ccc(cc1)C(O)C(Cc1ccc(OC)cc1)CC
InChI:   InChI=1/C19H24O3/c1-4-15(13-14-5-9-17(21-2)10-6-14)19(20)16-7-11-18(22-3)12-8-16/h5-12,15,19-20H,4,13H2,1-3H3/t15-,19+/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=94.1082 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 300.398 g/mol  logS: -4.00479  SlogP: 4.10157  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.092113  Sterimol/B1: 2.16475  Sterimol/B2: 3.24213  Sterimol/B3: 4.82802
  Sterimol/B4: 8.24048  Sterimol/L: 16.7966 
 
 Surface and Volume Properties
  Accessible surface: 560.876  Positive charged surface: 396.632  Negative charged surface: 164.243  Volume: 314
  Hydrophobic surface: 491.68  Hydrophilic surface: 69.196
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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: no related molecules available.