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IBS-ZINC02448443

 MMsINC code: MMs01867681
Type: Neutral
Formula: C24H26FNO
SMILES:   Fc1ccc(cc1)C(CCNC(C)c1ccccc1)c1ccc(OC)cc1
InChI:   InChI=1/C24H26FNO/c1-18(19-6-4-3-5-7-19)26-17-16-24(20-8-12-22(25)13-9-20)21-10-14-23(27-2)15-11-21/h3-15,18,24,26H,16-17H2,1-2H3/t18-,24-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=94.3684 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 363.476 g/mol  logS: -5.47155  SlogP: 5.8026  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.138097  Sterimol/B1: 2.11214  Sterimol/B2: 4.88982  Sterimol/B3: 6.8344
  Sterimol/B4: 7.05597  Sterimol/L: 17.7524 
 
 Surface and Volume Properties
  Accessible surface: 669.497  Positive charged surface: 414.588  Negative charged surface: 254.909  Volume: 376
  Hydrophobic surface: 629.09  Hydrophilic surface: 40.407
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules


MMs01867682
IBS-ZINC02448443