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CHEMDIV-ZINC06842496

 MMsINC code: MMs01046520
Type: Neutral
Formula: C17H18N2O4
SMILES:   O1CCN(c2c1cccc2)C(=O)Nc1cc(OC)c(OC)cc1
InChI:   InChI=1/C17H18N2O4/c1-21-15-8-7-12(11-16(15)22-2)18-17(20)19-9-10-23-14-6-4-3-5-13(14)19/h3-8,11H,9-10H2,1-2H3,(H,18,20)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=119.142 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 314.341 g/mol  logS: -3.44604  SlogP: 3.1347  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0325162  Sterimol/B1: 2.2997  Sterimol/B2: 3.10355  Sterimol/B3: 3.53993
  Sterimol/B4: 7.41026  Sterimol/L: 16.0977 
 
 Surface and Volume Properties
  Accessible surface: 558.619  Positive charged surface: 416.344  Negative charged surface: 142.275  Volume: 293.375
  Hydrophobic surface: 505.503  Hydrophilic surface: 53.116
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.