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PUBCHEM-ZINC05817452

 MMsINC code: MMs03396664
Type: Neutral
Formula: C18H32N2O3
SMILES:   OC(=O)C(NC(=O)N(C1CCCCC1)C1CCCCC1)C(C)C
InChI:   InChI=1/C18H32N2O3/c1-13(2)16(17(21)22)19-18(23)20(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h13-16H,3-12H2,1-2H3,(H,19,23)(H,21,22)/t16-/m0/s1

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Potential Energy
Epot(MMFF94)=55.2072 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 324.465 g/mol  logS: -3.16721  SlogP: 3.7726  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.171354  Sterimol/B1: 3.64143  Sterimol/B2: 3.8374  Sterimol/B3: 4.79071
  Sterimol/B4: 6.33586  Sterimol/L: 14.0842 
 
 Surface and Volume Properties
  Accessible surface: 554.099  Positive charged surface: 418.849  Negative charged surface: 135.25  Volume: 333.375
  Hydrophobic surface: 441.665  Hydrophilic surface: 112.434
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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


MMs03396665
PUBCHEM-ZINC05817452