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CHEMDIV-ZINC04863315

 MMsINC code: MMs00958782
Type: Neutral
Formula: C26H28FNO
SMILES:   Fc1ccc(cc1)C1(O)CC(NC(C1C(C)C)c1ccccc1)c1ccccc1
InChI:   InChI=1/C26H28FNO/c1-18(2)24-25(20-11-7-4-8-12-20)28-23(19-9-5-3-6-10-19)17-26(24,29)21-13-15-22(27)16-14-21/h3-16,18,23-25,28-29H,17H2,1-2H3/t23-,24+,25-,26-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=202.871 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 389.514 g/mol  logS: -6.53821  SlogP: 6.2639  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.215027  Sterimol/B1: 2.49156  Sterimol/B2: 5.63262  Sterimol/B3: 6.11487
  Sterimol/B4: 8.27173  Sterimol/L: 13.997 
 
 Surface and Volume Properties
  Accessible surface: 613.667  Positive charged surface: 351.667  Negative charged surface: 262  Volume: 387
  Hydrophobic surface: 555.67  Hydrophilic surface: 57.997
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 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


MMs00958783
CHEMDIV-ZINC04863315