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NCID-ZINC01605719

 MMsINC code: MMs02257892
Type: Neutral
Formula: C11H22N2O3
SMILES:   OC(=O)C(NC(=O)C(N)CC(C)C)C(C)C
InChI:   InChI=1/C11H22N2O3/c1-6(2)5-8(12)10(14)13-9(7(3)4)11(15)16/h6-9H,5,12H2,1-4H3,(H,13,14)(H,15,16)/t8-,9+/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=50.9748 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 230.308 g/mol  logS: -1.74048  SlogP: 0.5852  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.211047  Sterimol/B1: 2.84359  Sterimol/B2: 2.9157  Sterimol/B3: 4.91018
  Sterimol/B4: 5.22382  Sterimol/L: 12.9189 
 
 Surface and Volume Properties
  Accessible surface: 464.498  Positive charged surface: 315.627  Negative charged surface: 148.871  Volume: 236.375
  Hydrophobic surface: 220.767  Hydrophilic surface: 243.731
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  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.