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CHEMDIV-ZINC02024936

 MMsINC code: MMs00869807
Type: Neutral
Formula: C15H24N2O3
SMILES:   O(CC(=O)NCCN(CC)CC)c1ccc(OC)cc1
InChI:   InChI=1/C15H24N2O3/c1-4-17(5-2)11-10-16-15(18)12-20-14-8-6-13(19-3)7-9-14/h6-9H,4-5,10-12H2,1-3H3,(H,16,18)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=71.5346 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 280.368 g/mol  logS: -2.21052  SlogP: 1.532  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0249351  Sterimol/B1: 2.31717  Sterimol/B2: 2.40249  Sterimol/B3: 4.54121
  Sterimol/B4: 6.43155  Sterimol/L: 19.3089 
 
 Surface and Volume Properties
  Accessible surface: 586.295  Positive charged surface: 435.599  Negative charged surface: 150.696  Volume: 291.625
  Hydrophobic surface: 471.076  Hydrophilic surface: 115.219
 
 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


MMs00869808
CHEMDIV-ZINC02024936