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ASINEX-ZINC00825670

 MMsINC code: MMs00182824
Type: Neutral
Formula: C28H24FNO4
SMILES:   Fc1ccc(cc1)CN1C(=O)C2C(C3c4c(cccc4)C2(c2c3cccc2)C(OC)OC)C1=O
InChI:   InChI=1/C28H24FNO4/c1-33-27(34-2)28-20-9-5-3-7-18(20)22(19-8-4-6-10-21(19)28)23-24(28)26(32)30(25(23)31)15-16-11-13-17(29)14-12-16/h3-14,22-24,27H,15H2,1-2H3/t22-,23-,24+,28-/m1/s1

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Potential Energy
Epot(MMFF94)=135.317 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 457.501 g/mol  logS: -5.46234  SlogP: 4.2574  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.254356  Sterimol/B1: 2.71593  Sterimol/B2: 4.3099  Sterimol/B3: 6.01729
  Sterimol/B4: 8.6054  Sterimol/L: 15.7545 
 
 Surface and Volume Properties
  Accessible surface: 662.784  Positive charged surface: 418.061  Negative charged surface: 244.723  Volume: 419.875
  Hydrophobic surface: 628.39  Hydrophilic surface: 34.394
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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: 0
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Ions/Tautomers related molecules: no related molecules available.