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PUBCHEM-ZINC06268241

 MMsINC code: MMs03649093
Type: Neutral
Formula: C15H20N2O2
SMILES:   O(NC1=CC(N(CC1C)C)C)C(=O)c1ccccc1
InChI:   InChI=1/C15H20N2O2/c1-11-10-17(3)12(2)9-14(11)16-19-15(18)13-7-5-4-6-8-13/h4-9,11-12,16H,10H2,1-3H3/t11-,12+/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=83.5089 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 260.337 g/mol  logS: -2.4929  SlogP: 2.2019  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0261547  Sterimol/B1: 2.13417  Sterimol/B2: 2.54739  Sterimol/B3: 3.39294
  Sterimol/B4: 7.63667  Sterimol/L: 15.6158 
 
 Surface and Volume Properties
  Accessible surface: 513.344  Positive charged surface: 343.493  Negative charged surface: 169.851  Volume: 265.75
  Hydrophobic surface: 414.957  Hydrophilic surface: 98.387
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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


MMs03649094
PUBCHEM-ZINC06268241