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ENAMINE-ZINC03262662

 MMsINC code: MMs01337639
Type: Neutral
Formula: C16H10ClN3O4
SMILES:   Clc1cc(C(=O)c2cn(nc2)-c2cc([N+](=O)[O-])ccc2)c(O)cc1
InChI:   InChI=1/C16H10ClN3O4/c17-11-4-5-15(21)14(6-11)16(22)10-8-18-19(9-10)12-2-1-3-13(7-12)20(23)24/h1-9,21H

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Potential Energy
Epot(MMFF94)=94.8663 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 343.726 g/mol  logS: -4.77417  SlogP: 3.3705  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0580596  Sterimol/B1: 2.60327  Sterimol/B2: 3.94925  Sterimol/B3: 4.66342
  Sterimol/B4: 6.5077  Sterimol/L: 17.1282 
 
 Surface and Volume Properties
  Accessible surface: 556.032  Positive charged surface: 214.548  Negative charged surface: 341.484  Volume: 287.875
  Hydrophobic surface: 366.965  Hydrophilic surface: 189.067
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.