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NCID-ZINC01609297

 MMsINC code: MMs02260527
Type: Neutral
Formula: C20H21ClN2O4
SMILES:   Clc1ccc(cc1)C(=O)NC(C(=O)NC(Cc1ccccc1)C(OC)=O)C
InChI:   InChI=1/C20H21ClN2O4/c1-13(22-19(25)15-8-10-16(21)11-9-15)18(24)23-17(20(26)27-2)12-14-6-4-3-5-7-14/h3-11,13,17H,12H2,1-2H3,(H,22,25)(H,23,24)/t13-,17+/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=89.2967 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 388.851 g/mol  logS: -5.00262  SlogP: 2.35877  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.102553  Sterimol/B1: 2.66769  Sterimol/B2: 4.48282  Sterimol/B3: 5.65549
  Sterimol/B4: 8.46826  Sterimol/L: 17.0306 
 
 Surface and Volume Properties
  Accessible surface: 657.502  Positive charged surface: 364.863  Negative charged surface: 292.638  Volume: 360.875
  Hydrophobic surface: 546.901  Hydrophilic surface: 110.601
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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.