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CHEMBRIDGE-ZINC04981155

 MMsINC code: MMs00818492
Type: Neutral
Formula: C24H25FN2O
SMILES:   Fc1ccc(N2CCN(CC2)Cc2cc(OCc3ccccc3)ccc2)cc1
InChI:   InChI=1/C24H25FN2O/c25-22-9-11-23(12-10-22)27-15-13-26(14-16-27)18-21-7-4-8-24(17-21)28-19-20-5-2-1-3-6-20/h1-12,17H,13-16,18-19H2

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=163.732 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 376.475 g/mol  logS: -5.24018  SlogP: 5.2597  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0527054  Sterimol/B1: 3.05129  Sterimol/B2: 3.11155  Sterimol/B3: 4.7124
  Sterimol/B4: 8.23112  Sterimol/L: 19.0154 
 
 Surface and Volume Properties
  Accessible surface: 683.884  Positive charged surface: 420.508  Negative charged surface: 263.376  Volume: 374.625
  Hydrophobic surface: 654.654  Hydrophilic surface: 29.23
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules


MMs00818493
CHEMBRIDGE-ZINC04981155