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PUBCHEM-ZINC06778221

 MMsINC code: MMs03858475
Type: Neutral
Formula: C15H30N2O3
SMILES:   O(C(=O)C(NC(=O)NC(CCCCC)C)CC(C)C)C
InChI:   InChI=1/C15H30N2O3/c1-6-7-8-9-12(4)16-15(19)17-13(10-11(2)3)14(18)20-5/h11-13H,6-10H2,1-5H3,(H2,16,17,19)/t12-,13-/m1/s1

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Potential Energy
Epot(MMFF94)=8.50688 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 286.416 g/mol  logS: -3.97377  SlogP: 2.8421  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0562304  Sterimol/B1: 3.03767  Sterimol/B2: 3.70317  Sterimol/B3: 4.24753
  Sterimol/B4: 7.51312  Sterimol/L: 17.0104 
 
 Surface and Volume Properties
  Accessible surface: 612.897  Positive charged surface: 468.133  Negative charged surface: 144.764  Volume: 312
  Hydrophobic surface: 456.509  Hydrophilic surface: 156.388
 
 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.