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IBS-ZINC00541788

 MMsINC code: MMs01751118
Type: Neutral
Formula: C15H28N2O3
SMILES:   O(C(=O)C(NC(=O)NC1CCC(CC1)C)CC(C)C)C
InChI:   InChI=1/C15H28N2O3/c1-10(2)9-13(14(18)20-4)17-15(19)16-12-7-5-11(3)6-8-12/h10-13H,5-9H2,1-4H3,(H2,16,17,19)/t11-,12+,13-/m0/s1

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Potential Energy
Epot(MMFF94)=17.7104 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 284.4 g/mol  logS: -3.55828  SlogP: 2.452  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.100946  Sterimol/B1: 2.56095  Sterimol/B2: 4.16051  Sterimol/B3: 4.60448
  Sterimol/B4: 7.01181  Sterimol/L: 14.7393 
 
 Surface and Volume Properties
  Accessible surface: 565.348  Positive charged surface: 431.999  Negative charged surface: 133.349  Volume: 298.875
  Hydrophobic surface: 436.013  Hydrophilic surface: 129.335
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.