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BACHEM-ZINC02522687

 MMsINC code: MMs00483434
Type: Neutral
Formula: C12H23N3O4
SMILES:   OC(=O)C(NC(=O)C(NC(=O)C(N)C)CC(C)C)C
InChI:   InChI=1/C12H23N3O4/c1-6(2)5-9(15-10(16)7(3)13)11(17)14-8(4)12(18)19/h6-9H,5,13H2,1-4H3,(H,14,17)(H,15,16)(H,18,19)/t7-,8-,9-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=70.3132 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 273.333 g/mol  logS: -1.83672  SlogP: -0.5462  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0923211  Sterimol/B1: 2.06027  Sterimol/B2: 2.56065  Sterimol/B3: 4.23542
  Sterimol/B4: 8.47351  Sterimol/L: 14.92 
 
 Surface and Volume Properties
  Accessible surface: 523.747  Positive charged surface: 360.35  Negative charged surface: 163.397  Volume: 265.75
  Hydrophobic surface: 249.326  Hydrophilic surface: 274.421
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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.