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PUBCHEM-ZINC06882655

 MMsINC code: MMs03886583
Type: Neutral
Formula: C16H27NO4
SMILES:   O(C(C)(C)C)C(=O)N1CC(CC1C(O)=O)C1CCCCC1
InChI:   InChI=1/C16H27NO4/c1-16(2,3)21-15(20)17-10-12(9-13(17)14(18)19)11-7-5-4-6-8-11/h11-13H,4-10H2,1-3H3,(H,18,19)/t12-,13-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=44.9278 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 297.395 g/mol  logS: -3.93962  SlogP: 3.2769  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0714973  Sterimol/B1: 2.22412  Sterimol/B2: 3.97618  Sterimol/B3: 4.91262
  Sterimol/B4: 6.98025  Sterimol/L: 15.0294 
 
 Surface and Volume Properties
  Accessible surface: 556.213  Positive charged surface: 413.345  Negative charged surface: 142.868  Volume: 299.875
  Hydrophobic surface: 405.81  Hydrophilic surface: 150.403
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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


MMs03886584
PUBCHEM-ZINC06882655