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CHEMBLOCK-ZINC01153734

 MMsINC code: MMs00517033
Type: Neutral
Formula: C18H13ClN2O5
SMILES:   Clc1ccccc1-c1noc(C)c1C(OCc1ccc([N+](=O)[O-])cc1)=O
InChI:   InChI=1/C18H13ClN2O5/c1-11-16(17(20-26-11)14-4-2-3-5-15(14)19)18(22)25-10-12-6-8-13(9-7-12)21(23)24/h2-9H,10H2,1H3

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Potential Energy
Epot(MMFF94)=96.0821 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 372.764 g/mol  logS: -6.41395  SlogP: 4.83502  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.130046  Sterimol/B1: 2.27892  Sterimol/B2: 4.27524  Sterimol/B3: 4.62937
  Sterimol/B4: 10.1839  Sterimol/L: 14.421 
 
 Surface and Volume Properties
  Accessible surface: 604.396  Positive charged surface: 246.686  Negative charged surface: 357.71  Volume: 318.5
  Hydrophobic surface: 473.589  Hydrophilic surface: 130.807
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.