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ENAMINE-ZINC03389134

 MMsINC code: MMs01412550
Type: Neutral
Formula: C20H15Cl2NO3
SMILES:   Clc1cc(Cl)ccc1CNC(=O)COC(=O)c1cc2c(cc1)cccc2
InChI:   InChI=1/C20H15Cl2NO3/c21-17-8-7-16(18(22)10-17)11-23-19(24)12-26-20(25)15-6-5-13-3-1-2-4-14(13)9-15/h1-10H,11-12H2,(H,23,24)

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Potential Energy
Epot(MMFF94)=69.961 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 388.25 g/mol  logS: -7.05354  SlogP: 4.8862  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0218424  Sterimol/B1: 3.58857  Sterimol/B2: 3.70966  Sterimol/B3: 4.4542
  Sterimol/B4: 4.57497  Sterimol/L: 22.0537 
 
 Surface and Volume Properties
  Accessible surface: 648.897  Positive charged surface: 291.46  Negative charged surface: 346.365  Volume: 341.875
  Hydrophobic surface: 558.227  Hydrophilic surface: 90.67
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.