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CHEMDIV-ZINC03650852

 MMsINC code: MMs00914064
Type: Neutral
Formula: C23H25FN2O3
SMILES:   Fc1ccc(cc1)C1N(CCOC)C(=O)c2c(cccc2)C1C(=O)N1CCCC1
InChI:   InChI=1/C23H25FN2O3/c1-29-15-14-26-21(16-8-10-17(24)11-9-16)20(23(28)25-12-4-5-13-25)18-6-2-3-7-19(18)22(26)27/h2-3,6-11,20-21H,4-5,12-15H2,1H3/t20-,21+/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=105.241 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 396.462 g/mol  logS: -4.30793  SlogP: 3.4707  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.328963  Sterimol/B1: 2.82281  Sterimol/B2: 3.04504  Sterimol/B3: 7.2736
  Sterimol/B4: 8.69431  Sterimol/L: 14.5762 
 
 Surface and Volume Properties
  Accessible surface: 627.279  Positive charged surface: 436.678  Negative charged surface: 190.602  Volume: 377.75
  Hydrophobic surface: 587.072  Hydrophilic surface: 40.207
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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.