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CHEMBRIDGE-ZINC02857900

 MMsINC code: MMs00727842
Type: Neutral
Formula: C12H24N2O3
SMILES:   OC(=O)C(NCC(C)C)CC(=O)NCC(C)C
InChI:   InChI=1/C12H24N2O3/c1-8(2)6-13-10(12(16)17)5-11(15)14-7-9(3)4/h8-10,13H,5-7H2,1-4H3,(H,14,15)(H,16,17)/t10-/m1/s1

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Potential Energy
Epot(MMFF94)=24.7719 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 244.335 g/mol  logS: -0.86931  SlogP: 0.8475  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0683678  Sterimol/B1: 2.855  Sterimol/B2: 3.06367  Sterimol/B3: 3.58355
  Sterimol/B4: 8.03084  Sterimol/L: 14.9487 
 
 Surface and Volume Properties
  Accessible surface: 518.326  Positive charged surface: 383.222  Negative charged surface: 135.104  Volume: 257.875
  Hydrophobic surface: 316.136  Hydrophilic surface: 202.19
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  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.