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ACROSORGANICS-ZINC03780965

 MMsINC code: MMs00015073
Type: Neutral
Formula: C28H37FN2O
SMILES:   Fc1ccc(cc1)-c1[nH]c2c(cccc2)c1CC(=O)N(CCCCCC)CCCCCC
InChI:   InChI=1/C28H37FN2O/c1-3-5-7-11-19-31(20-12-8-6-4-2)27(32)21-25-24-13-9-10-14-26(24)30-28(25)22-15-17-23(29)18-16-22/h9-10,13-18,30H,3-8,11-12,19-21H2,1-2H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=60.3808 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 436.615 g/mol  logS: -8.61583  SlogP: 7.50567  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.184901  Sterimol/B1: 2.13874  Sterimol/B2: 4.00658  Sterimol/B3: 6.88631
  Sterimol/B4: 13.9387  Sterimol/L: 17.5544 
 
 Surface and Volume Properties
  Accessible surface: 800.891  Positive charged surface: 537.235  Negative charged surface: 260.028  Volume: 463.75
  Hydrophobic surface: 717.401  Hydrophilic surface: 83.49
 
 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: 0
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Ions/Tautomers related molecules: no related molecules available.