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PUBCHEM-ZINC02556728

 MMsINC code: MMs02900516
Type: Neutral
Formula: C14H23NO4
SMILES:   O(C(C)(C)C)C(=O)N1C2C(CC1C(O)=O)CCCC2
InChI:   InChI=1/C14H23NO4/c1-14(2,3)19-13(18)15-10-7-5-4-6-9(10)8-11(15)12(16)17/h9-11H,4-8H2,1-3H3,(H,16,17)/t9-,10-,11+/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=52.7846 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 269.341 g/mol  logS: -2.40772  SlogP: 2.6392  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.169377  Sterimol/B1: 2.32078  Sterimol/B2: 4.3082  Sterimol/B3: 4.79589
  Sterimol/B4: 6.39848  Sterimol/L: 12.0313 
 
 Surface and Volume Properties
  Accessible surface: 482.429  Positive charged surface: 346.436  Negative charged surface: 135.993  Volume: 261.875
  Hydrophobic surface: 348.646  Hydrophilic surface: 133.783
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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


MMs02900517
PUBCHEM-ZINC02556728