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PUBCHEM-ZINC05856686

 MMsINC code: MMs03420028
Type: Neutral
Formula: C15H28N2O3
SMILES:   O(C(=O)C(NC(CC(C)C)C(=O)N1CCCC1)C)CC
InChI:   InChI=1/C15H28N2O3/c1-5-20-15(19)12(4)16-13(10-11(2)3)14(18)17-8-6-7-9-17/h11-13,16H,5-10H2,1-4H3/t12-,13+/m1/s1

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Potential Energy
Epot(MMFF94)=97.1377 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 284.4 g/mol  logS: -2.59845  SlogP: 1.5647  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.101321  Sterimol/B1: 3.39092  Sterimol/B2: 3.71146  Sterimol/B3: 3.79324
  Sterimol/B4: 7.03079  Sterimol/L: 15.9506 
 
 Surface and Volume Properties
  Accessible surface: 556.958  Positive charged surface: 409.159  Negative charged surface: 147.799  Volume: 299.875
  Hydrophobic surface: 418.286  Hydrophilic surface: 138.672
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.