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PUBCHEM-ZINC00994877

 MMsINC code: MMs02752085
Type: Neutral
Formula: C18H32N2O3
SMILES:   O=C1N(CCCCC1)CC(C(O)C(=O)NC1CCCCC1)(C)C
InChI:   InChI=1/C18H32N2O3/c1-18(2,13-20-12-8-4-7-11-15(20)21)16(22)17(23)19-14-9-5-3-6-10-14/h14,16,22H,3-13H2,1-2H3,(H,19,23)/t16-/m1/s1

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Potential Energy
Epot(MMFF94)=64.1713 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 324.465 g/mol  logS: -2.33967  SlogP: 2.225  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.063047  Sterimol/B1: 3.25519  Sterimol/B2: 3.65164  Sterimol/B3: 3.95216
  Sterimol/B4: 5.50199  Sterimol/L: 17.4773 
 
 Surface and Volume Properties
  Accessible surface: 566.867  Positive charged surface: 416.926  Negative charged surface: 149.941  Volume: 333
  Hydrophobic surface: 459.94  Hydrophilic surface: 106.927
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.