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ENAMINE-ZINC03498096

 MMsINC code: MMs01475087
Type: Neutral
Formula: C17H16ClNO7
SMILES:   Clc1ccccc1OCCOC(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-]
InChI:   InChI=1/C17H16ClNO7/c1-23-15-9-11(13(19(21)22)10-16(15)24-2)17(20)26-8-7-25-14-6-4-3-5-12(14)18/h3-6,9-10H,7-8H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=121.909 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 381.768 g/mol  logS: -5.23661  SlogP: 3.5012  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0547771  Sterimol/B1: 2.37416  Sterimol/B2: 2.55632  Sterimol/B3: 5.89796
  Sterimol/B4: 8.26342  Sterimol/L: 17.7045 
 
 Surface and Volume Properties
  Accessible surface: 631.298  Positive charged surface: 377.701  Negative charged surface: 253.596  Volume: 325
  Hydrophobic surface: 514.057  Hydrophilic surface: 117.241
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.