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CHEMDIV-ZINC00214809

 MMsINC code: MMs00841474
Type: Neutral
Formula: C20H29FN2O2
SMILES:   Fc1ccccc1NC(=O)C(NC(=O)C1CCC(CC1)C)C(CC)C
InChI:   InChI=1/C20H29FN2O2/c1-4-14(3)18(20(25)22-17-8-6-5-7-16(17)21)23-19(24)15-11-9-13(2)10-12-15/h5-8,13-15,18H,4,9-12H2,1-3H3,(H,22,25)(H,23,24)/t13-,14-,15+,18-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=88.2186 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 348.462 g/mol  logS: -5.67023  SlogP: 4.1214  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0982722  Sterimol/B1: 2.12691  Sterimol/B2: 3.17662  Sterimol/B3: 4.32794
  Sterimol/B4: 9.50945  Sterimol/L: 15.8606 
 
 Surface and Volume Properties
  Accessible surface: 612.523  Positive charged surface: 405.482  Negative charged surface: 207.042  Volume: 349
  Hydrophobic surface: 520.304  Hydrophilic surface: 92.219
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.