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ENAMINE-ZINC03514296

 MMsINC code: MMs01485095
Type: Neutral
Formula: C16H12Cl2N2O5
SMILES:   Clc1ccccc1CNC(=O)COC(=O)c1cc([N+](=O)[O-])ccc1Cl
InChI:   InChI=1/C16H12Cl2N2O5/c17-13-4-2-1-3-10(13)8-19-15(21)9-25-16(22)12-7-11(20(23)24)5-6-14(12)18/h1-7H,8-9H2,(H,19,21)

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Potential Energy
Epot(MMFF94)=82.2992 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: 0.0326765  Sterimol/B1: 2.40751  Sterimol/B2: 4.93719  Sterimol/B3: 5.5786
  Sterimol/B4: 5.88552  Sterimol/L: 18.6412 
 
 Surface and Volume Properties
  Accessible surface: 606.95  Positive charged surface: 255.033  Negative charged surface: 351.917  Volume: 312.875
  Hydrophobic surface: 444.805  Hydrophilic surface: 162.145
 
 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.