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NCID-ZINC01754282

 MMsINC code: MMs02363812
Type: Neutral
Formula: C16H16ClN3O4
SMILES:   Clc1ccc(cc1)C(=O)NNC(=O)Nc1cc(OC)ccc1OC
InChI:   InChI=1/C16H16ClN3O4/c1-23-12-7-8-14(24-2)13(9-12)18-16(22)20-19-15(21)10-3-5-11(17)6-4-10/h3-9H,1-2H3,(H,19,21)(H2,18,20,22)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=102.181 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 349.774 g/mol  logS: -4.31563  SlogP: 2.8237  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0204402  Sterimol/B1: 2.36473  Sterimol/B2: 3.24622  Sterimol/B3: 3.72987
  Sterimol/B4: 6.86872  Sterimol/L: 18.3029 
 
 Surface and Volume Properties
  Accessible surface: 599.624  Positive charged surface: 355.503  Negative charged surface: 244.121  Volume: 307.5
  Hydrophobic surface: 470.716  Hydrophilic surface: 128.908
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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.