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PUBCHEM-ZINC06398006

 MMsINC code: MMs03706904
Type: Neutral
Formula: C17H25N3O4
SMILES:   O1CC(N(C2CCN(CC2)C(=O)c2noc(c2)C)C1=O)CCCC
InChI:   InChI=1/C17H25N3O4/c1-3-4-5-14-11-23-17(22)20(14)13-6-8-19(9-7-13)16(21)15-10-12(2)24-18-15/h10,13-14H,3-9,11H2,1-2H3/t14-/m0/s1

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Potential Energy
Epot(MMFF94)=68.1839 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 335.404 g/mol  logS: -2.94172  SlogP: 2.59862  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0546155  Sterimol/B1: 2.55759  Sterimol/B2: 2.65167  Sterimol/B3: 4.43818
  Sterimol/B4: 5.95515  Sterimol/L: 19.1674 
 
 Surface and Volume Properties
  Accessible surface: 593.376  Positive charged surface: 408.847  Negative charged surface: 184.529  Volume: 321.75
  Hydrophobic surface: 466.661  Hydrophilic surface: 126.715
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.