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AURORAFEINCHEMIE-ZINC02102840

 MMsINC code: MMs00449964
Type: Neutral
Formula: C12H24N2O3
SMILES:   OC(=O)C(NC(=O)NC(CCCC(C)C)C)C
InChI:   InChI=1/C12H24N2O3/c1-8(2)6-5-7-9(3)13-12(17)14-10(4)11(15)16/h8-10H,5-7H2,1-4H3,(H,15,16)(H2,13,14,17)/t9-,10+/m1/s1

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Potential Energy
Epot(MMFF94)=-3.29188 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 244.335 g/mol  logS: -2.84445  SlogP: 1.9735  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0454999  Sterimol/B1: 2.57323  Sterimol/B2: 2.82186  Sterimol/B3: 3.23926
  Sterimol/B4: 7.80316  Sterimol/L: 15.0468 
 
 Surface and Volume Properties
  Accessible surface: 527.855  Positive charged surface: 371.352  Negative charged surface: 156.503  Volume: 256.875
  Hydrophobic surface: 302.021  Hydrophilic surface: 225.834
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 3  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


MMs00449965
AURORAFEINCHEMIE-ZINC02102840