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CHEMDIV-ZINC04101884

 MMsINC code: MMs00926417
Type: Neutral
Formula: C19H23N3O3
SMILES:   O1CCN(CC1)CCNC(=O)Cn1cccc1C(=O)c1ccccc1
InChI:   InChI=1/C19H23N3O3/c23-18(20-8-10-21-11-13-25-14-12-21)15-22-9-4-7-17(22)19(24)16-5-2-1-3-6-16/h1-7,9H,8,10-15H2,(H,20,23)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=100.617 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 341.411 g/mol  logS: -2.30978  SlogP: 1.4339  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0722099  Sterimol/B1: 2.54578  Sterimol/B2: 3.37813  Sterimol/B3: 4.31154
  Sterimol/B4: 8.39964  Sterimol/L: 17.6918 
 
 Surface and Volume Properties
  Accessible surface: 628.878  Positive charged surface: 438.217  Negative charged surface: 190.661  Volume: 334.75
  Hydrophobic surface: 531.271  Hydrophilic surface: 97.607
 
 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


MMs00926418
CHEMDIV-ZINC04101884