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IBS-ZINC00542325

 MMsINC code: MMs01751273
Type: Neutral
Formula: C15H28N2O3
SMILES:   O(C(=O)C(NC(=O)N1CCCCC1CC)CC(C)C)C
InChI:   InChI=1/C15H28N2O3/c1-5-12-8-6-7-9-17(12)15(19)16-13(10-11(2)3)14(18)20-4/h11-13H,5-10H2,1-4H3,(H,16,19)/t12-,13-/m0/s1

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Potential Energy
Epot(MMFF94)=50.6436 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 284.4 g/mol  logS: -2.74906  SlogP: 2.5482  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.22085  Sterimol/B1: 2.24951  Sterimol/B2: 5.01081  Sterimol/B3: 5.86794
  Sterimol/B4: 6.65976  Sterimol/L: 13.18 
 
 Surface and Volume Properties
  Accessible surface: 557.34  Positive charged surface: 438.957  Negative charged surface: 118.383  Volume: 298.5
  Hydrophobic surface: 450.902  Hydrophilic surface: 106.438
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.