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CHEMDIV-ZINC04799131

 MMsINC code: MMs00957483
Type: Neutral
Formula: C23H27FN2O4
SMILES:   Fc1ccccc1C1N(C)C(=O)c2c(cc(OC)c(OC)c2)C1C(=O)NCCCC
InChI:   InChI=1/C23H27FN2O4/c1-5-6-11-25-22(27)20-15-12-18(29-3)19(30-4)13-16(15)23(28)26(2)21(20)14-9-7-8-10-17(14)24/h7-10,12-13,20-21H,5-6,11H2,1-4H3,(H,25,27)/t20-,21-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=113.642 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 414.477 g/mol  logS: -4.86386  SlogP: 3.7652  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.176288  Sterimol/B1: 3.83006  Sterimol/B2: 5.97466  Sterimol/B3: 6.52142
  Sterimol/B4: 6.54815  Sterimol/L: 17.6966 
 
 Surface and Volume Properties
  Accessible surface: 678.273  Positive charged surface: 515.179  Negative charged surface: 163.094  Volume: 392.125
  Hydrophobic surface: 588.247  Hydrophilic surface: 90.026
 
 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.