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CHEMDIV-ZINC06725174

 MMsINC code: MMs01002270
Type: Neutral
Formula: C24H27FN2O3
SMILES:   Fc1ccc(cc1)C1N(C(=O)CC1C(=O)N1CCCCC1C)c1ccc(OC)cc1
InChI:   InChI=1/C24H27FN2O3/c1-16-5-3-4-14-26(16)24(29)21-15-22(28)27(19-10-12-20(30-2)13-11-19)23(21)17-6-8-18(25)9-7-17/h6-13,16,21,23H,3-5,14-15H2,1-2H3/t16-,21+,23+/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=137.328 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 410.489 g/mol  logS: -4.52942  SlogP: 4.425  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.162906  Sterimol/B1: 2.31774  Sterimol/B2: 5.22506  Sterimol/B3: 5.92736
  Sterimol/B4: 6.60357  Sterimol/L: 15.8986 
 
 Surface and Volume Properties
  Accessible surface: 597.476  Positive charged surface: 416.466  Negative charged surface: 181.01  Volume: 386.625
  Hydrophobic surface: 530.581  Hydrophilic surface: 66.895
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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: no related molecules available.