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ENAMINE-ZINC07007096

 MMsINC code: MMs01719820
Type: Neutral
Formula: C17H11Cl2NO3
SMILES:   Clc1cc(OC(=O)c2c(noc2C)-c2ccccc2)ccc1Cl
InChI:   InChI=1/C17H11Cl2NO3/c1-10-15(16(20-23-10)11-5-3-2-4-6-11)17(21)22-12-7-8-13(18)14(19)9-12/h2-9H,1H3

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Potential Energy
Epot(MMFF94)=89.3147 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 348.185 g/mol  logS: -6.32244  SlogP: 5.17602  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0337049  Sterimol/B1: 2.44111  Sterimol/B2: 2.85067  Sterimol/B3: 3.1205
  Sterimol/B4: 9.08847  Sterimol/L: 15.2765 
 
 Surface and Volume Properties
  Accessible surface: 546.171  Positive charged surface: 201.014  Negative charged surface: 345.156  Volume: 295.75
  Hydrophobic surface: 487.797  Hydrophilic surface: 58.374
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.