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ENAMINE-ZINC05211457

 MMsINC code: MMs01597782
Type: Neutral
Formula: C18H20ClN3O4
SMILES:   Clc1n(nc(C)c1C(OCC(=O)N1CCOCC1)=O)Cc1ccccc1
InChI:   InChI=1/C18H20ClN3O4/c1-13-16(17(19)22(20-13)11-14-5-3-2-4-6-14)18(24)26-12-15(23)21-7-9-25-10-8-21/h2-6H,7-12H2,1H3

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Potential Energy
Epot(MMFF94)=93.3108 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 377.828 g/mol  logS: -3.58156  SlogP: 2.17522  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0573724  Sterimol/B1: 2.15346  Sterimol/B2: 3.10015  Sterimol/B3: 4.67246
  Sterimol/B4: 7.61962  Sterimol/L: 18.9559 
 
 Surface and Volume Properties
  Accessible surface: 645.694  Positive charged surface: 405.018  Negative charged surface: 240.677  Volume: 342.75
  Hydrophobic surface: 543.915  Hydrophilic surface: 101.779
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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.