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CHEMBRIDGE-ZINC00471420

 MMsINC code: MMs00627038
Type: Neutral
Formula: C17H20N2O3
SMILES:   O(C)c1ccc(cc1)CCNC(=O)Nc1ccc(OC)cc1
InChI:   InChI=1/C17H20N2O3/c1-21-15-7-3-13(4-8-15)11-12-18-17(20)19-14-5-9-16(22-2)10-6-14/h3-10H,11-12H2,1-2H3,(H2,18,19,20)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=63.4221 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 300.358 g/mol  logS: -3.35832  SlogP: 3.06797  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0308561  Sterimol/B1: 2.67364  Sterimol/B2: 3.50636  Sterimol/B3: 4.02912
  Sterimol/B4: 5.49927  Sterimol/L: 20.9672 
 
 Surface and Volume Properties
  Accessible surface: 594.475  Positive charged surface: 423.574  Negative charged surface: 170.901  Volume: 297.375
  Hydrophobic surface: 507.936  Hydrophilic surface: 86.539
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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.