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CHEMBRIDGE-ZINC04984054

 MMsINC code: MMs00819384
Type: Neutral
Formula: C21H25FN2O4
SMILES:   Fc1ccccc1CN1CCN(CC1)C(=O)c1cc(OC)c(OC)c(OC)c1
InChI:   InChI=1/C21H25FN2O4/c1-26-18-12-16(13-19(27-2)20(18)28-3)21(25)24-10-8-23(9-11-24)14-15-6-4-5-7-17(15)22/h4-7,12-13H,8-11,14H2,1-3H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=144.757 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 388.439 g/mol  logS: -3.68577  SlogP: 3.0759  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.14627  Sterimol/B1: 2.35115  Sterimol/B2: 2.52283  Sterimol/B3: 6.49756
  Sterimol/B4: 8.03906  Sterimol/L: 15.8475 
 
 Surface and Volume Properties
  Accessible surface: 654.786  Positive charged surface: 502.463  Negative charged surface: 152.323  Volume: 367.75
  Hydrophobic surface: 596.523  Hydrophilic surface: 58.263
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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


MMs00819385
CHEMBRIDGE-ZINC04984054