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CHEMBRIDGE-ZINC02904406

 MMsINC code: MMs00739951
Type: Neutral
Formula: C17H19BrO3
SMILES:   Brc1ccccc1OCCCCOc1ccc(OC)cc1
InChI:   InChI=1/C17H19BrO3/c1-19-14-8-10-15(11-9-14)20-12-4-5-13-21-17-7-3-2-6-16(17)18/h2-3,6-11H,4-5,12-13H2,1H3

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Potential Energy
Epot(MMFF94)=74.7632 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 351.24 g/mol  logS: -4.82429  SlogP: 4.6957  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00740125  Sterimol/B1: 2.37548  Sterimol/B2: 2.37897  Sterimol/B3: 4.12823
  Sterimol/B4: 5.91048  Sterimol/L: 20.4772 
 
 Surface and Volume Properties
  Accessible surface: 611.58  Positive charged surface: 364.392  Negative charged surface: 247.188  Volume: 307.875
  Hydrophobic surface: 593.141  Hydrophilic surface: 18.439
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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: no related molecules available.