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NCID-ZINC01642291

 MMsINC code: MMs02284168
Type: Neutral
Formula: C11H12BrO2P
SMILES:   BrC1=CP(OC1(C)C)(=O)c1ccccc1
InChI:   InChI=1/C11H12BrO2P/c1-11(2)10(12)8-15(13,14-11)9-6-4-3-5-7-9/h3-8H,1-2H3/t15-/m1/s1

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Potential Energy
Epot(MMFF94)=51.6469 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 287.093 g/mol  logS: -3.41559  SlogP: 2.6738  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.105006  Sterimol/B1: 2.46708  Sterimol/B2: 3.13274  Sterimol/B3: 4.79304
  Sterimol/B4: 5.70656  Sterimol/L: 12.3911 
 
 Surface and Volume Properties
  Accessible surface: 437.906  Positive charged surface: 192.069  Negative charged surface: 245.837  Volume: 226.75
  Hydrophobic surface: 354.509  Hydrophilic surface: 83.397
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.