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ENAMINE-ZINC05212045

 MMsINC code: MMs01598129
Type: Neutral
Formula: C19H21ClN2O5
SMILES:   Clc1ccc(cc1)CCNC(=O)COC(=O)c1[nH]c(C)c(C(OC)=O)c1C
InChI:   InChI=1/C19H21ClN2O5/c1-11-16(18(24)26-3)12(2)22-17(11)19(25)27-10-15(23)21-9-8-13-4-6-14(20)7-5-13/h4-7,22H,8-10H2,1-3H3,(H,21,23)

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Potential Energy
Epot(MMFF94)=71.6255 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 392.839 g/mol  logS: -3.95457  SlogP: 2.58721  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0233421  Sterimol/B1: 2.07823  Sterimol/B2: 3.36434  Sterimol/B3: 3.90209
  Sterimol/B4: 7.25169  Sterimol/L: 23.2388 
 
 Surface and Volume Properties
  Accessible surface: 704.119  Positive charged surface: 419.929  Negative charged surface: 284.19  Volume: 359.625
  Hydrophobic surface: 550.874  Hydrophilic surface: 153.245
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.