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ENAMINE-ZINC03386718

 MMsINC code: MMs01411084
Type: Neutral
Formula: C16H13ClN2O5
SMILES:   Clc1cc([N+](=O)[O-])c(cc1)C(OCC(=O)NCc1ccccc1)=O
InChI:   InChI=1/C16H13ClN2O5/c17-12-6-7-13(14(8-12)19(22)23)16(21)24-10-15(20)18-9-11-4-2-1-3-5-11/h1-8H,9-10H2,(H,18,20)

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Potential Energy
Epot(MMFF94)=76.9342 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 348.742 g/mol  logS: -5.2316  SlogP: 2.9878  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.031324  Sterimol/B1: 3.07432  Sterimol/B2: 3.86958  Sterimol/B3: 4.57906
  Sterimol/B4: 4.72303  Sterimol/L: 19.6827 
 
 Surface and Volume Properties
  Accessible surface: 595.384  Positive charged surface: 274.422  Negative charged surface: 320.962  Volume: 296.375
  Hydrophobic surface: 441.173  Hydrophilic surface: 154.211
 
 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.