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ANALYTICONDISCOVERY-ZINC05414302

 MMsINC code: MMs00036940
Type: Neutral
Formula: C22H25FN2O3
SMILES:   Fc1ccc(cc1)C(=O)N1CC(CC)C(CC1)CC(=O)Nc1cc(O)ccc1
InChI:   InChI=1/C22H25FN2O3/c1-2-15-14-25(22(28)16-6-8-18(23)9-7-16)11-10-17(15)12-21(27)24-19-4-3-5-20(26)13-19/h3-9,13,15,17,26H,2,10-12,14H2,1H3,(H,24,27)/t15-,17-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=114.588 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 384.451 g/mol  logS: -4.5821  SlogP: 4.0484  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.098725  Sterimol/B1: 2.39655  Sterimol/B2: 3.21885  Sterimol/B3: 4.82847
  Sterimol/B4: 9.92372  Sterimol/L: 16.5769 
 
 Surface and Volume Properties
  Accessible surface: 647.64  Positive charged surface: 402.884  Negative charged surface: 244.756  Volume: 364.625
  Hydrophobic surface: 515.978  Hydrophilic surface: 131.662
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.