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ENAMINE-ZINC06508804

 MMsINC code: MMs01665179
Type: Neutral
Formula: C15H15ClN2O3
SMILES:   Clc1n(nc(C)c1C(OC(C(=O)C)C)=O)-c1ccccc1
InChI:   InChI=1/C15H15ClN2O3/c1-9-13(15(20)21-11(3)10(2)19)14(16)18(17-9)12-7-5-4-6-8-12/h4-8,11H,1-3H3/t11-/m1/s1

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Potential Energy
Epot(MMFF94)=78.7297 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 306.749 g/mol  logS: -3.94538  SlogP: 2.96842  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0295037  Sterimol/B1: 2.34821  Sterimol/B2: 2.88079  Sterimol/B3: 4.05242
  Sterimol/B4: 7.81452  Sterimol/L: 16.1837 
 
 Surface and Volume Properties
  Accessible surface: 543.273  Positive charged surface: 264.878  Negative charged surface: 278.395  Volume: 280.625
  Hydrophobic surface: 445.324  Hydrophilic surface: 97.949
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.