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NCID-ZINC01870381

 MMsINC code: MMs02376100
Type: Neutral
Formula: C11H13Br2OP
SMILES:   BrC1CP(=O)(CC1Br)Cc1ccccc1
InChI:   InChI=1/C11H13Br2OP/c12-10-7-15(14,8-11(10)13)6-9-4-2-1-3-5-9/h1-5,10-11H,6-8H2/t10-,11-/m0/s1

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Potential Energy
Epot(MMFF94)=43.6891 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 352.006 g/mol  logS: -3.20606  SlogP: 4.1263  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.102168  Sterimol/B1: 3.14402  Sterimol/B2: 3.66933  Sterimol/B3: 4.29844
  Sterimol/B4: 4.4264  Sterimol/L: 13.9974 
 
 Surface and Volume Properties
  Accessible surface: 470.532  Positive charged surface: 191.776  Negative charged surface: 278.756  Volume: 252.5
  Hydrophobic surface: 287.876  Hydrophilic surface: 182.656
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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.