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PUBCHEM-ZINC06409522

 MMsINC code: MMs03713155
Type: Neutral
Formula: C17H27N3O3
SMILES:   O=C1N(CC(=O)NC2CCCC(C)C2C)C(=O)NC12CCCC2
InChI:   InChI=1/C17H27N3O3/c1-11-6-5-7-13(12(11)2)18-14(21)10-20-15(22)17(19-16(20)23)8-3-4-9-17/h11-13H,3-10H2,1-2H3,(H,18,21)(H,19,23)/t11-,12-,13+/m1/s1

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Potential Energy
Epot(MMFF94)=38.6749 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 321.421 g/mol  logS: -3.35111  SlogP: 1.7919  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0767441  Sterimol/B1: 2.4983  Sterimol/B2: 3.77112  Sterimol/B3: 4.07189
  Sterimol/B4: 6.04152  Sterimol/L: 17.1269 
 
 Surface and Volume Properties
  Accessible surface: 570.176  Positive charged surface: 410.749  Negative charged surface: 159.427  Volume: 315.375
  Hydrophobic surface: 410.249  Hydrophilic surface: 159.927
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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.