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BACHEM-ZINC02517119

 MMsINC code: MMs00483317
Type: Neutral
Formula: C15H28N2O6
SMILES:   O(C(C)(C)C)C(=O)NC(CCCNC(OC(C)(C)C)=O)C(O)=O
InChI:   InChI=1/C15H28N2O6/c1-14(2,3)22-12(20)16-9-7-8-10(11(18)19)17-13(21)23-15(4,5)6/h10H,7-9H2,1-6H3,(H,16,20)(H,17,21)(H,18,19)/t10-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=28.895 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 332.397 g/mol  logS: -2.45196  SlogP: 2.2692  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.042619  Sterimol/B1: 2.06068  Sterimol/B2: 4.0959  Sterimol/B3: 4.80502
  Sterimol/B4: 7.30135  Sterimol/L: 17.9499 
 
 Surface and Volume Properties
  Accessible surface: 640.655  Positive charged surface: 447.851  Negative charged surface: 192.804  Volume: 323.625
  Hydrophobic surface: 366.304  Hydrophilic surface: 274.351
 
 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


MMs00483318
BACHEM-ZINC02517119