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CHEMDIV-ZINC06858212

 MMsINC code: MMs01047713
Type: Neutral
Formula: C26H25FN2O2
SMILES:   Fc1ccc(cc1)Cn1cc(c2c1cccc2)CCC(=O)NCc1cc(OC)ccc1
InChI:   InChI=1/C26H25FN2O2/c1-31-23-6-4-5-20(15-23)16-28-26(30)14-11-21-18-29(25-8-3-2-7-24(21)25)17-19-9-12-22(27)13-10-19/h2-10,12-13,15,18H,11,14,16-17H2,1H3,(H,28,30)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=74.43 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 416.496 g/mol  logS: -5.53947  SlogP: 5.61907  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0397204  Sterimol/B1: 3.20881  Sterimol/B2: 4.37315  Sterimol/B3: 4.76988
  Sterimol/B4: 6.52737  Sterimol/L: 22.1746 
 
 Surface and Volume Properties
  Accessible surface: 738.381  Positive charged surface: 459.756  Negative charged surface: 274.463  Volume: 413.625
  Hydrophobic surface: 657.157  Hydrophilic surface: 81.224
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.