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ANALYTICONDISCOVERY-ZINC05415431

 MMsINC code: MMs00037270
Type: Neutral
Formula: C25H31FN2O4
SMILES:   Fc1ccc(cc1)C(=O)N1CC(CC)C(CC1)CC(=O)NCc1cc(OC)c(OC)cc1
InChI:   InChI=1/C25H31FN2O4/c1-4-18-16-28(25(30)19-6-8-21(26)9-7-19)12-11-20(18)14-24(29)27-15-17-5-10-22(31-2)23(13-17)32-3/h5-10,13,18,20H,4,11-12,14-16H2,1-3H3,(H,27,29)/t18-,20-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=119.88 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 442.531 g/mol  logS: -4.98885  SlogP: 4.3041  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0748359  Sterimol/B1: 2.45336  Sterimol/B2: 2.52305  Sterimol/B3: 6.31076
  Sterimol/B4: 9.10164  Sterimol/L: 20.4279 
 
 Surface and Volume Properties
  Accessible surface: 753.795  Positive charged surface: 536.064  Negative charged surface: 217.731  Volume: 426.5
  Hydrophobic surface: 645.215  Hydrophilic surface: 108.58
 
 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.