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ENAMINE-ZINC03386654

 MMsINC code: MMs01411037
Type: Neutral
Formula: C16H12Cl2N2O5
SMILES:   Clc1ccccc1CNC(=O)COC(=O)c1ccc(Cl)cc1[N+](=O)[O-]
InChI:   InChI=1/C16H12Cl2N2O5/c17-11-5-6-12(14(7-11)20(23)24)16(22)25-9-15(21)19-8-10-3-1-2-4-13(10)18/h1-7H,8-9H2,(H,19,21)

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Potential Energy
Epot(MMFF94)=78.4388 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 383.187 g/mol  logS: -5.96589  SlogP: 3.6412  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0287418  Sterimol/B1: 2.7228  Sterimol/B2: 3.49335  Sterimol/B3: 4.58479
  Sterimol/B4: 5.81129  Sterimol/L: 19.6828 
 
 Surface and Volume Properties
  Accessible surface: 609.195  Positive charged surface: 247.549  Negative charged surface: 361.646  Volume: 309.625
  Hydrophobic surface: 460.124  Hydrophilic surface: 149.071
 
 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.