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CHEMDIV-ZINC03657273

 MMsINC code: MMs00915263
Type: Neutral
Formula: C23H27FN2O4
SMILES:   Fc1ccc(cc1)C1N(CCOC)C(=O)c2c(cccc2)C1C(=O)NCCCOC
InChI:   InChI=1/C23H27FN2O4/c1-29-14-5-12-25-22(27)20-18-6-3-4-7-19(18)23(28)26(13-15-30-2)21(20)16-8-10-17(24)11-9-16/h3-4,6-11,20-21H,5,12-15H2,1-2H3,(H,25,27)/t20-,21-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=173.844 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 414.477 g/mol  logS: -4.20595  SlogP: 3.001  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0874589  Sterimol/B1: 2.69614  Sterimol/B2: 4.78947  Sterimol/B3: 6.6622
  Sterimol/B4: 7.73631  Sterimol/L: 18.7308 
 
 Surface and Volume Properties
  Accessible surface: 686.294  Positive charged surface: 487.872  Negative charged surface: 198.422  Volume: 392.125
  Hydrophobic surface: 634.908  Hydrophilic surface: 51.386
 
 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.