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PUBCHEM-ZINC06656000

 MMsINC code: MMs03835726
Type: Neutral
Formula: C12H24N2O3
SMILES:   O(C(=O)C(NC(=O)NC(CCCCC)C)C)C
InChI:   InChI=1/C12H24N2O3/c1-5-6-7-8-9(2)13-12(16)14-10(3)11(15)17-4/h9-10H,5-8H2,1-4H3,(H2,13,14,16)/t9-,10+/m0/s1

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Potential Energy
Epot(MMFF94)=-2.35895 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 244.335 g/mol  logS: -2.74156  SlogP: 1.8159  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0387515  Sterimol/B1: 2.58884  Sterimol/B2: 2.68739  Sterimol/B3: 3.1586
  Sterimol/B4: 7.90619  Sterimol/L: 16.2682 
 
 Surface and Volume Properties
  Accessible surface: 542.078  Positive charged surface: 416.473  Negative charged surface: 125.605  Volume: 259.625
  Hydrophobic surface: 391.837  Hydrophilic surface: 150.241
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.