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CHEMDIV-ZINC06858183

 MMsINC code: MMs01047699
Type: Neutral
Formula: C23H25FN2O
SMILES:   Fc1ccc(cc1)Cn1cc(c2c1cccc2)CCC(=O)NC1CCCC1
InChI:   InChI=1/C23H25FN2O/c24-19-12-9-17(10-13-19)15-26-16-18(21-7-3-4-8-22(21)26)11-14-23(27)25-20-5-1-2-6-20/h3-4,7-10,12-13,16,20H,1-2,5-6,11,14-15H2,(H,25,27)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=55.7555 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 364.464 g/mol  logS: -4.67711  SlogP: 5.08647  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0401627  Sterimol/B1: 2.4535  Sterimol/B2: 2.77791  Sterimol/B3: 4.46957
  Sterimol/B4: 9.10261  Sterimol/L: 19.3693 
 
 Surface and Volume Properties
  Accessible surface: 663.881  Positive charged surface: 420.708  Negative charged surface: 238.454  Volume: 367.875
  Hydrophobic surface: 604.773  Hydrophilic surface: 59.108
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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.