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ENAMINE-ZINC05015302

 MMsINC code: MMs01574532
Type: Neutral
Formula: C22H23F2NO3
SMILES:   Fc1cc(F)ccc1C(NC(=O)COC(=O)C1(CCCC1)c1ccccc1)C
InChI:   InChI=1/C22H23F2NO3/c1-15(18-10-9-17(23)13-19(18)24)25-20(26)14-28-21(27)22(11-5-6-12-22)16-7-3-2-4-8-16/h2-4,7-10,13,15H,5-6,11-12,14H2,1H3,(H,25,26)/t15-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=88.0661 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 387.426 g/mol  logS: -6.01766  SlogP: 4.2927  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0780529  Sterimol/B1: 2.15035  Sterimol/B2: 3.45416  Sterimol/B3: 6.12684
  Sterimol/B4: 7.52303  Sterimol/L: 17.3968 
 
 Surface and Volume Properties
  Accessible surface: 652.984  Positive charged surface: 370.88  Negative charged surface: 282.105  Volume: 363.75
  Hydrophobic surface: 576.25  Hydrophilic surface: 76.734
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.