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PUBCHEM-ZINC06230852

 MMsINC code: MMs03625780
Type: Neutral
Formula: C20H25FN2O2
SMILES:   Fc1ccccc1NC1CCN(CC1)Cc1cc(OC)c(OC)cc1
InChI:   InChI=1/C20H25FN2O2/c1-24-19-8-7-15(13-20(19)25-2)14-23-11-9-16(10-12-23)22-18-6-4-3-5-17(18)21/h3-8,13,16,22H,9-12,14H2,1-2H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=98.3427 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 344.43 g/mol  logS: -3.79525  SlogP: 4.1858  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.110155  Sterimol/B1: 2.22702  Sterimol/B2: 5.02857  Sterimol/B3: 5.55571
  Sterimol/B4: 6.20279  Sterimol/L: 17.6514 
 
 Surface and Volume Properties
  Accessible surface: 631.329  Positive charged surface: 461.823  Negative charged surface: 169.506  Volume: 342.25
  Hydrophobic surface: 593.221  Hydrophilic surface: 38.108
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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


MMs03625781
PUBCHEM-ZINC06230852