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PEAKDALE-ZINC01498885

 MMsINC code: MMs02611098
Type: Neutral
Formula: C15H25NO5
SMILES:   O(C(=O)C(NC(=O)CC1(CCCC1)CC(O)=O)C(C)C)C
InChI:   InChI=1/C15H25NO5/c1-10(2)13(14(20)21-3)16-11(17)8-15(9-12(18)19)6-4-5-7-15/h10,13H,4-9H2,1-3H3,(H,16,17)(H,18,19)/t13-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=76.2005 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 299.367 g/mol  logS: -2.82232  SlogP: 1.7254  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.10175  Sterimol/B1: 3.10285  Sterimol/B2: 3.1482  Sterimol/B3: 4.21403
  Sterimol/B4: 6.62549  Sterimol/L: 14.7471 
 
 Surface and Volume Properties
  Accessible surface: 531.728  Positive charged surface: 397.643  Negative charged surface: 134.085  Volume: 292.375
  Hydrophobic surface: 372.486  Hydrophilic surface: 159.242
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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


MMs02611099
PEAKDALE-ZINC01498885