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ASINEX-ZINC02925739

 MMsINC code: MMs00281313
Type: Neutral
Formula: C16H24N2O3
SMILES:   O1CCN(CC1)Cc1ccc(cc1)C(=O)NCCCOC
InChI:   InChI=1/C16H24N2O3/c1-20-10-2-7-17-16(19)15-5-3-14(4-6-15)13-18-8-11-21-12-9-18/h3-6H,2,7-13H2,1H3,(H,17,19)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=67.5203 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 292.379 g/mol  logS: -2.03835  SlogP: 1.5515  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0338753  Sterimol/B1: 3.41526  Sterimol/B2: 3.42666  Sterimol/B3: 3.52565
  Sterimol/B4: 5.77119  Sterimol/L: 19.684 
 
 Surface and Volume Properties
  Accessible surface: 586.425  Positive charged surface: 473.987  Negative charged surface: 112.438  Volume: 297.75
  Hydrophobic surface: 512.013  Hydrophilic surface: 74.412
 
 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


MMs00281314
ASINEX-ZINC02925739