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CHEMDIV-ZINC01283109

 MMsINC code: MMs00865087
Type: Neutral
Formula: C25H24F2N2O
SMILES:   Fc1ccc(cc1)CN(Cc1ccc(F)cc1)CCc1c2cc(OC)ccc2[nH]c1
InChI:   InChI=1/C25H24F2N2O/c1-30-23-10-11-25-24(14-23)20(15-28-25)12-13-29(16-18-2-6-21(26)7-3-18)17-19-4-8-22(27)9-5-19/h2-11,14-15,28H,12-13,16-17H2,1H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=92.1268 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 406.476 g/mol  logS: -5.78384  SlogP: 6.23237  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.106946  Sterimol/B1: 2.32212  Sterimol/B2: 3.37792  Sterimol/B3: 5.62103
  Sterimol/B4: 9.14059  Sterimol/L: 16.3609 
 
 Surface and Volume Properties
  Accessible surface: 688.3  Positive charged surface: 407.137  Negative charged surface: 275.909  Volume: 393.625
  Hydrophobic surface: 623.817  Hydrophilic surface: 64.483
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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


MMs00865088
CHEMDIV-ZINC01283109