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ENAMINE-ZINC03307996

 MMsINC code: MMs01362247
Type: Neutral
Formula: C19H21ClN2O5
SMILES:   Clc1ccccc1CNC(=O)COC(=O)c1[nH]c(C)c(C(OCC)=O)c1C
InChI:   InChI=1/C19H21ClN2O5/c1-4-26-18(24)16-11(2)17(22-12(16)3)19(25)27-10-15(23)21-9-13-7-5-6-8-14(13)20/h5-8,22H,4,9-10H2,1-3H3,(H,21,23)

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Potential Energy
Epot(MMFF94)=62.7105 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 392.839 g/mol  logS: -4.22031  SlogP: 3.20124  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0339446  Sterimol/B1: 2.28429  Sterimol/B2: 3.54248  Sterimol/B3: 5.65135
  Sterimol/B4: 6.10911  Sterimol/L: 22.4293 
 
 Surface and Volume Properties
  Accessible surface: 702.221  Positive charged surface: 408.559  Negative charged surface: 293.663  Volume: 357.5
  Hydrophobic surface: 527.561  Hydrophilic surface: 174.66
 
 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.