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PUBCHEM-ZINC06159571

 MMsINC code: MMs03570688
Type: Neutral
Formula: C16H32N2O3
SMILES:   O(C(=O)C(NC(=O)NC(CCCC(C)C)C)CC(C)C)C
InChI:   InChI=1/C16H32N2O3/c1-11(2)8-7-9-13(5)17-16(20)18-14(10-12(3)4)15(19)21-6/h11-14H,7-10H2,1-6H3,(H2,17,18,20)/t13-,14-/m0/s1

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Potential Energy
Epot(MMFF94)=16.1251 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 300.443 g/mol  logS: -4.48899  SlogP: 3.0881  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0667032  Sterimol/B1: 1.97055  Sterimol/B2: 4.73856  Sterimol/B3: 4.82418
  Sterimol/B4: 7.16938  Sterimol/L: 17.1193 
 
 Surface and Volume Properties
  Accessible surface: 637.246  Positive charged surface: 482.923  Negative charged surface: 154.323  Volume: 329.125
  Hydrophobic surface: 463.229  Hydrophilic surface: 174.017
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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: no related molecules available.