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ENAMINE-ZINC05704456

 MMsINC code: MMs01636518
Type: Neutral
Formula: C16H15Cl2NO2
SMILES:   Clc1c(cccc1Cl)CN(C(=O)\C=C\c1oc(cc1)C)C
InChI:   InChI=1/C16H15Cl2NO2/c1-11-6-7-13(21-11)8-9-15(20)19(2)10-12-4-3-5-14(17)16(12)18/h3-9H,10H2,1-2H3/b9-8+

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Potential Energy
Epot(MMFF94)=46.8536 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 324.207 g/mol  logS: -5.23228  SlogP: 4.83302  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.106235  Sterimol/B1: 3.44005  Sterimol/B2: 3.73786  Sterimol/B3: 4.94786
  Sterimol/B4: 5.5649  Sterimol/L: 15.5521 
 
 Surface and Volume Properties
  Accessible surface: 552.837  Positive charged surface: 281.807  Negative charged surface: 271.03  Volume: 293.625
  Hydrophobic surface: 512.905  Hydrophilic surface: 39.932
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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.