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ASINEX-ZINC04375773

 MMsINC code: MMs00328193
Type: Neutral
Formula: C26H28FNO
SMILES:   Fc1ccc(cc1)C1(O)C(C)C(N(C)C(C1C)c1ccccc1)c1ccccc1
InChI:   InChI=1/C26H28FNO/c1-18-24(20-10-6-4-7-11-20)28(3)25(21-12-8-5-9-13-21)19(2)26(18,29)22-14-16-23(27)17-15-22/h4-19,24-25,29H,1-3H3/t18-,19+,24-,25-,26-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=231.888 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 389.514 g/mol  logS: -5.84049  SlogP: 6.216  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.223347  Sterimol/B1: 2.23575  Sterimol/B2: 4.35854  Sterimol/B3: 5.76887
  Sterimol/B4: 8.24636  Sterimol/L: 14.4621 
 
 Surface and Volume Properties
  Accessible surface: 597.853  Positive charged surface: 358.477  Negative charged surface: 239.376  Volume: 387.25
  Hydrophobic surface: 560.076  Hydrophilic surface: 37.777
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 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


MMs00328194
ASINEX-ZINC04375773