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ASINEX-ZINC01341551

 MMsINC code: MMs00240052
Type: Neutral
Formula: C25H25FN2O3
SMILES:   Fc1ccccc1N(C(C(=O)NC1CCCCC1)c1ccccc1)C(=O)c1occc1
InChI:   InChI=1/C25H25FN2O3/c26-20-14-7-8-15-21(20)28(25(30)22-16-9-17-31-22)23(18-10-3-1-4-11-18)24(29)27-19-12-5-2-6-13-19/h1,3-4,7-11,14-17,19,23H,2,5-6,12-13H2,(H,27,29)/t23-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=146.922 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 420.484 g/mol  logS: -6.70704  SlogP: 5.3512  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.201426  Sterimol/B1: 2.59644  Sterimol/B2: 3.1364  Sterimol/B3: 6.4757
  Sterimol/B4: 9.49351  Sterimol/L: 15.7867 
 
 Surface and Volume Properties
  Accessible surface: 652.809  Positive charged surface: 407.579  Negative charged surface: 245.23  Volume: 400.125
  Hydrophobic surface: 608.593  Hydrophilic surface: 44.216
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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: no related molecules available.