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PUBCHEM-ZINC01532226

 MMsINC code: MMs02813532
Type: Neutral
Formula: C14H26N2O4
SMILES:   OC(=O)C(NC(=O)C(NC(=O)C)CC(C)C)CC(C)C
InChI:   InChI=1/C14H26N2O4/c1-8(2)6-11(15-10(5)17)13(18)16-12(14(19)20)7-9(3)4/h8-9,11-12H,6-7H2,1-5H3,(H,15,17)(H,16,18)(H,19,20)/t11-,12-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=57.067 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 286.372 g/mol  logS: -3.05772  SlogP: 1.1527  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.229855  Sterimol/B1: 2.21909  Sterimol/B2: 4.01599  Sterimol/B3: 5.12077
  Sterimol/B4: 8.59789  Sterimol/L: 13.8991 
 
 Surface and Volume Properties
  Accessible surface: 543.025  Positive charged surface: 364.53  Negative charged surface: 178.494  Volume: 291.25
  Hydrophobic surface: 330.538  Hydrophilic surface: 212.487
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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


MMs02813533
PUBCHEM-ZINC01532226