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CHEMBRIDGE-ZINC02904636

 MMsINC code: MMs00740010
Type: Neutral
Formula: C17H19BrO3
SMILES:   Brc1ccccc1OCCCCOc1cc(OC)ccc1
InChI:   InChI=1/C17H19BrO3/c1-19-14-7-6-8-15(13-14)20-11-4-5-12-21-17-10-3-2-9-16(17)18/h2-3,6-10,13H,4-5,11-12H2,1H3

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Potential Energy
Epot(MMFF94)=74.1031 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: 0.00711289  Sterimol/B1: 2.3745  Sterimol/B2: 2.38094  Sterimol/B3: 3.20304
  Sterimol/B4: 6.11295  Sterimol/L: 20.5308 
 
 Surface and Volume Properties
  Accessible surface: 609.474  Positive charged surface: 362.737  Negative charged surface: 246.737  Volume: 307.125
  Hydrophobic surface: 591.314  Hydrophilic surface: 18.16
 
 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.