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PUBCHEM-ZINC03036200

 MMsINC code: MMs02983916
Type: Neutral
Formula: C20H27ClN2O2
SMILES:   ClCC(=O)N(C(C(=O)NC1CCCCC1)c1ccccc1C)C1CC1
InChI:   InChI=1/C20H27ClN2O2/c1-14-7-5-6-10-17(14)19(23(16-11-12-16)18(24)13-21)20(25)22-15-8-3-2-4-9-15/h5-7,10,15-16,19H,2-4,8-9,11-13H2,1H3,(H,22,25)/t19-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=139.524 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 362.901 g/mol  logS: -4.86031  SlogP: 3.81032  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.199163  Sterimol/B1: 3.19647  Sterimol/B2: 4.65946  Sterimol/B3: 5.12858
  Sterimol/B4: 7.96326  Sterimol/L: 14.019 
 
 Surface and Volume Properties
  Accessible surface: 606.191  Positive charged surface: 363.475  Negative charged surface: 242.716  Volume: 356
  Hydrophobic surface: 471.219  Hydrophilic surface: 134.972
 
 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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.