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ENAMINE-ZINC03324389

 MMsINC code: MMs01372153
Type: Neutral
Formula: C14H11ClN2O3
SMILES:   Clc1cc(C(=O)c2cn(nc2)C(=O)C2CC2)c(O)cc1
InChI:   InChI=1/C14H11ClN2O3/c15-10-3-4-12(18)11(5-10)13(19)9-6-16-17(7-9)14(20)8-1-2-8/h3-8,18H,1-2H2

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Potential Energy
Epot(MMFF94)=83.0813 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 290.706 g/mol  logS: -2.85625  SlogP: 2.5233  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0799043  Sterimol/B1: 2.7772  Sterimol/B2: 3.49392  Sterimol/B3: 4.58741
  Sterimol/B4: 4.88827  Sterimol/L: 15.2864 
 
 Surface and Volume Properties
  Accessible surface: 509.143  Positive charged surface: 248.797  Negative charged surface: 260.346  Volume: 254.875
  Hydrophobic surface: 328.906  Hydrophilic surface: 180.237
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.