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ENAMINE-ZINC04836403

 MMsINC code: MMs01556055
Type: Neutral
Formula: C24H23FN2O4
SMILES:   Fc1ccc(cc1)-c1nc2c(cccc2)c(c1)C(OCC(=O)N1CC(OC(C1)C)C)=O
InChI:   InChI=1/C24H23FN2O4/c1-15-12-27(13-16(2)31-15)23(28)14-30-24(29)20-11-22(17-7-9-18(25)10-8-17)26-21-6-4-3-5-19(20)21/h3-11,15-16H,12-14H2,1-2H3/t15-,16-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=129.398 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 422.456 g/mol  logS: -6.05779  SlogP: 3.8335  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.027795  Sterimol/B1: 2.19849  Sterimol/B2: 5.0178  Sterimol/B3: 5.15268
  Sterimol/B4: 8.90697  Sterimol/L: 17.8618 
 
 Surface and Volume Properties
  Accessible surface: 699.114  Positive charged surface: 411.012  Negative charged surface: 277.721  Volume: 395.625
  Hydrophobic surface: 567.395  Hydrophilic surface: 131.719
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.