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CHEMSTAR-ZINC04119546

 MMsINC code: MMs01106520
Type: Neutral
Formula: C26H15BrClNO5
SMILES:   Brc1ccc(cc1)C1OC2(C3C1C(=O)N(c1ccccc1Cl)C3=O)C(=O)c1c(cccc1)
C2=O
InChI:   InChI=1/C26H15BrClNO5/c27-14-11-9-13(10-12-14)21-19-20(25(33)29(24(19)32)18-8-4-3-7-17(18)28)26(34-21)22(30)15-5-1-2-6-16(15)23(26)31/h1-12,19-21H/t19-,20+,21+/m1/s1

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Potential Energy
Epot(MMFF94)=139.447 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 536.765 g/mol  logS: -7.96715  SlogP: 4.8931  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.15105  Sterimol/B1: 2.33782  Sterimol/B2: 4.32365  Sterimol/B3: 4.42514
  Sterimol/B4: 13.0749  Sterimol/L: 15.5505 
 
 Surface and Volume Properties
  Accessible surface: 715.505  Positive charged surface: 267.66  Negative charged surface: 447.845  Volume: 423.375
  Hydrophobic surface: 594.92  Hydrophilic surface: 120.585
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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.