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CHEMDIV-ZINC04760395

 MMsINC code: MMs00948262
Type: Neutral
Formula: C25H29FN2O4
SMILES:   Fc1ccccc1C1N(C)C(=O)c2c(cc(OC)c(OC)c2)C1C(=O)NC1CCCCC1
InChI:   InChI=1/C25H29FN2O4/c1-28-23(16-11-7-8-12-19(16)26)22(24(29)27-15-9-5-4-6-10-15)17-13-20(31-2)21(32-3)14-18(17)25(28)30/h7-8,11-15,22-23H,4-6,9-10H2,1-3H3,(H,27,29)/t22-,23+/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=106.129 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 440.515 g/mol  logS: -5.2908  SlogP: 4.2978  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.280145  Sterimol/B1: 2.33942  Sterimol/B2: 2.4099  Sterimol/B3: 7.7026
  Sterimol/B4: 9.86178  Sterimol/L: 16.365 
 
 Surface and Volume Properties
  Accessible surface: 699.392  Positive charged surface: 520.664  Negative charged surface: 178.728  Volume: 419.375
  Hydrophobic surface: 638.629  Hydrophilic surface: 60.763
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.