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CHEMSTAR-ZINC03211689

 MMsINC code: MMs01085463
Type: Neutral
Formula: C25H15BrF3NO2
SMILES:   BrC12C3C(C(c4c1cccc4)c1c2cccc1)C(=O)N(C3=O)c1cc(ccc1)C(F)(F)
F
InChI:   InChI=1/C25H15BrF3NO2/c26-24-17-10-3-1-8-15(17)19(16-9-2-4-11-18(16)24)20-21(24)23(32)30(22(20)31)14-7-5-6-13(12-14)25(27,28)29/h1-12,19-21H/t19-,20-,21-,24-/m1/s1

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Potential Energy
Epot(MMFF94)=188.971 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 498.298 g/mol  logS: -7.3968  SlogP: 6.2316  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.191149  Sterimol/B1: 2.63704  Sterimol/B2: 3.44991  Sterimol/B3: 6.34245
  Sterimol/B4: 8.69715  Sterimol/L: 15.5917 
 
 Surface and Volume Properties
  Accessible surface: 637.756  Positive charged surface: 245.683  Negative charged surface: 392.073  Volume: 382
  Hydrophobic surface: 421.818  Hydrophilic surface: 215.938
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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: no related molecules available.