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CHEMDIV-ZINC03037660

 MMsINC code: MMs00906393
Type: Neutral
Formula: C25H29FN2O2
SMILES:   Fc1ccc(cc1)C1N(CCc2ccc(cc2)C)C(=O)CN(C1=O)C1CCCCC1
InChI:   InChI=1/C25H29FN2O2/c1-18-7-9-19(10-8-18)15-16-27-23(29)17-28(22-5-3-2-4-6-22)25(30)24(27)20-11-13-21(26)14-12-20/h7-14,22,24H,2-6,15-17H2,1H3/t24-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=130.891 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 408.517 g/mol  logS: -5.70985  SlogP: 4.51689  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.073905  Sterimol/B1: 2.98786  Sterimol/B2: 3.07465  Sterimol/B3: 4.8307
  Sterimol/B4: 7.81825  Sterimol/L: 19.3834 
 
 Surface and Volume Properties
  Accessible surface: 680.991  Positive charged surface: 437.336  Negative charged surface: 243.655  Volume: 403.75
  Hydrophobic surface: 630.679  Hydrophilic surface: 50.312
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.