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ENAMINE-ZINC03404323

 MMsINC code: MMs01421724
Type: Neutral
Formula: C8H7BrFNO2
SMILES:   Brc1cc(F)c(OCC(=O)N)cc1
InChI:   InChI=1/C8H7BrFNO2/c9-5-1-2-7(6(10)3-5)13-4-8(11)12/h1-3H,4H2,(H2,11,12)

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Potential Energy
Epot(MMFF94)=40.4145 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 248.051 g/mol  logS: -3.09919  SlogP: 1.4523  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00975259  Sterimol/B1: 2.3745  Sterimol/B2: 2.3756  Sterimol/B3: 2.54039
  Sterimol/B4: 5.52509  Sterimol/L: 13.5572 
 
 Surface and Volume Properties
  Accessible surface: 391.97  Positive charged surface: 172.353  Negative charged surface: 219.617  Volume: 176.625
  Hydrophobic surface: 272.619  Hydrophilic surface: 119.351
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.