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PUBCHEM-ZINC05351043

 MMsINC code: MMs03245591
Type: Neutral
Formula: C15H24N2O4
SMILES:   OC(=O)C1N(CCC1)C(=O)C1N(CCC1)C(=O)C(C)(C)C
InChI:   InChI=1/C15H24N2O4/c1-15(2,3)14(21)17-9-4-6-10(17)12(18)16-8-5-7-11(16)13(19)20/h10-11H,4-9H2,1-3H3,(H,19,20)/t10-,11-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=98.5079 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 296.367 g/mol  logS: -1.43697  SlogP: 1.0991  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.144028  Sterimol/B1: 2.34216  Sterimol/B2: 2.88232  Sterimol/B3: 5.09179
  Sterimol/B4: 6.77201  Sterimol/L: 13.6228 
 
 Surface and Volume Properties
  Accessible surface: 516.761  Positive charged surface: 366.717  Negative charged surface: 150.044  Volume: 288.875
  Hydrophobic surface: 356.243  Hydrophilic surface: 160.518
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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


MMs03245592
PUBCHEM-ZINC05351043