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ENAMINE-ZINC03327711

 MMsINC code: MMs01374461
Type: Neutral
Formula: C18H17ClN2O4
SMILES:   Clc1cc(NC(=O)CCCN2c3c(OC2=O)cccc3)ccc1OC
InChI:   InChI=1/C18H17ClN2O4/c1-24-15-9-8-12(11-13(15)19)20-17(22)7-4-10-21-14-5-2-3-6-16(14)25-18(21)23/h2-3,5-6,8-9,11H,4,7,10H2,1H3,(H,20,22)

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Potential Energy
Epot(MMFF94)=81.7699 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 360.797 g/mol  logS: -4.92116  SlogP: 4.0863  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0744774  Sterimol/B1: 2.17815  Sterimol/B2: 4.67326  Sterimol/B3: 5.02604
  Sterimol/B4: 6.21998  Sterimol/L: 18.3257 
 
 Surface and Volume Properties
  Accessible surface: 612.962  Positive charged surface: 366.052  Negative charged surface: 246.911  Volume: 323.5
  Hydrophobic surface: 497.985  Hydrophilic surface: 114.977
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.