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NCID-ZINC01703722

 MMsINC code: MMs02332721
Type: Neutral
Formula: C18H11ClN2O4
SMILES:   ClC1=C(NC(=O)NC(=O)c2ccccc2)C(=O)c2c(cccc2)C1=O
InChI:   InChI=1/C18H11ClN2O4/c19-13-14(16(23)12-9-5-4-8-11(12)15(13)22)20-18(25)21-17(24)10-6-2-1-3-7-10/h1-9H,(H2,20,21,24,25)

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Potential Energy
Epot(MMFF94)=93.4465 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 354.749 g/mol  logS: -5.71474  SlogP: 2.7645  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0279424  Sterimol/B1: 2.77796  Sterimol/B2: 3.36317  Sterimol/B3: 4.10799
  Sterimol/B4: 5.64401  Sterimol/L: 18.4856 
 
 Surface and Volume Properties
  Accessible surface: 569.24  Positive charged surface: 262.108  Negative charged surface: 307.133  Volume: 299.375
  Hydrophobic surface: 416.154  Hydrophilic surface: 153.086
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.