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IBS-ZINC00540475

 MMsINC code: MMs01750726
Type: Neutral
Formula: C12H22N2O3
SMILES:   O(C(=O)C(NC(=O)NC1CCC(CC1)C)C)C
InChI:   InChI=1/C12H22N2O3/c1-8-4-6-10(7-5-8)14-12(16)13-9(2)11(15)17-3/h8-10H,4-7H2,1-3H3,(H2,13,14,16)/t8-,9-,10-/m0/s1

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Potential Energy
Epot(MMFF94)=4.59656 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 242.319 g/mol  logS: -2.32607  SlogP: 1.4258  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0359654  Sterimol/B1: 2.63734  Sterimol/B2: 3.31359  Sterimol/B3: 3.67964
  Sterimol/B4: 4.16931  Sterimol/L: 17.1693 
 
 Surface and Volume Properties
  Accessible surface: 502.602  Positive charged surface: 392.273  Negative charged surface: 110.33  Volume: 245.875
  Hydrophobic surface: 369.457  Hydrophilic surface: 133.145
 
 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.