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NCID-ZINC05188652

 MMsINC code: MMs02447116
Type: Neutral
Formula: C18H32Br2O4
SMILES:   BrC(C(Br)CCCCCCCC(O)=O)CCCCCCCC(O)=O
InChI:   InChI=1/C18H32Br2O4/c19-15(11-7-3-1-5-9-13-17(21)22)16(20)12-8-4-2-6-10-14-18(23)24/h15-16H,1-14H2,(H,21,22)(H,23,24)/t15-,16+

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Potential Energy
Epot(MMFF94)=13.2437 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 472.258 g/mol  logS: -5.83506  SlogP: 6.9838  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0110122  Sterimol/B1: 3.50023  Sterimol/B2: 3.59818  Sterimol/B3: 3.6911
  Sterimol/B4: 4.26299  Sterimol/L: 27.7753 
 
 Surface and Volume Properties
  Accessible surface: 746.407  Positive charged surface: 458.753  Negative charged surface: 287.654  Volume: 398.75
  Hydrophobic surface: 409.049  Hydrophilic surface: 337.358
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  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: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules


MMs02447117
NCID-ZINC05188652