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MDPI-ZINC03850632

 MMsINC code: MMs02182852
Type: Neutral
Formula: C15H12ClNO5
SMILES:   Clc1ccc(cc1)C(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-]
InChI:   InChI=1/C15H12ClNO5/c1-21-13-7-11(12(17(19)20)8-14(13)22-2)15(18)9-3-5-10(16)6-4-9/h3-8H,1-2H3

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Potential Energy
Epot(MMFF94)=105.112 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 321.716 g/mol  logS: -5.08297  SlogP: 3.4964  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.134528  Sterimol/B1: 2.20567  Sterimol/B2: 3.98399  Sterimol/B3: 4.48694
  Sterimol/B4: 8.53606  Sterimol/L: 14.8434 
 
 Surface and Volume Properties
  Accessible surface: 523.908  Positive charged surface: 276.743  Negative charged surface: 247.165  Volume: 272.625
  Hydrophobic surface: 414.216  Hydrophilic surface: 109.692
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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.