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CHEMBLOCK-ZINC01444363

 MMsINC code: MMs00527830
Type: Neutral
Formula: C25H24FNO4
SMILES:   Fc1ccc(cc1)CN1C(C(Oc2ccccc2C)C1=O)c1cc(OC)c(OC)cc1
InChI:   InChI=1/C25H24FNO4/c1-16-6-4-5-7-20(16)31-24-23(18-10-13-21(29-2)22(14-18)30-3)27(25(24)28)15-17-8-11-19(26)12-9-17/h4-14,23-24H,15H2,1-3H3/t23-,24-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=120.148 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 421.468 g/mol  logS: -5.74269  SlogP: 5.04432  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.272367  Sterimol/B1: 3.8658  Sterimol/B2: 4.98861  Sterimol/B3: 6.09313
  Sterimol/B4: 9.57788  Sterimol/L: 15.1461 
 
 Surface and Volume Properties
  Accessible surface: 718.161  Positive charged surface: 451.949  Negative charged surface: 256.791  Volume: 403.125
  Hydrophobic surface: 662.817  Hydrophilic surface: 55.344
 
 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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.