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AURORAFEINCHEMIE-ZINC05354189

 MMsINC code: MMs00474911
Type: Neutral
Formula: C13H24N2O3
SMILES:   O(C(=O)C(NC(=O)NC1CCCC1)CC(C)C)C
InChI:   InChI=1/C13H24N2O3/c1-9(2)8-11(12(16)18-3)15-13(17)14-10-6-4-5-7-10/h9-11H,4-8H2,1-3H3,(H2,14,15,17)/t11-/m1/s1

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Potential Energy
Epot(MMFF94)=15.6022 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 256.346 g/mol  logS: -2.52784  SlogP: 1.8159  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0755002  Sterimol/B1: 2.00529  Sterimol/B2: 3.16892  Sterimol/B3: 4.79902
  Sterimol/B4: 7.91487  Sterimol/L: 14.1106 
 
 Surface and Volume Properties
  Accessible surface: 536.855  Positive charged surface: 412.601  Negative charged surface: 124.254  Volume: 267
  Hydrophobic surface: 419.325  Hydrophilic surface: 117.53
 
 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.