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NCID-ZINC01690586

 MMsINC code: MMs02322850
Type: Neutral
Formula: C19H24O4
SMILES:   O(CCO)c1ccc(cc1)C(C)(C)c1ccc(OCCO)cc1
InChI:   InChI=1/C19H24O4/c1-19(2,15-3-7-17(8-4-15)22-13-11-20)16-5-9-18(10-6-16)23-14-12-21/h3-10,20-21H,11-14H2,1-2H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=113.142 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 316.397 g/mol  logS: -4.22738  SlogP: 2.7547  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0859192  Sterimol/B1: 2.11636  Sterimol/B2: 2.47142  Sterimol/B3: 5.02061
  Sterimol/B4: 8.17546  Sterimol/L: 18.7197 
 
 Surface and Volume Properties
  Accessible surface: 606.998  Positive charged surface: 434.183  Negative charged surface: 172.815  Volume: 319.75
  Hydrophobic surface: 460.497  Hydrophilic surface: 146.501
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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: no related molecules available.