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NCID-ZINC04995352

 MMsINC code: MMs02426073
Type: Neutral
Formula: C8H15NO5
SMILES:   O1CC(O)C(NC(=O)C)C(O)C1OC
InChI:   InChI=1/C8H15NO5/c1-4(10)9-6-5(11)3-14-8(13-2)7(6)12/h5-8,11-12H,3H2,1-2H3,(H,9,10)/t5-,6-,7-,8+/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=53.5944 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 205.21 g/mol  logS: 0.31976  SlogP: -1.7844  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.121014  Sterimol/B1: 2.66207  Sterimol/B2: 3.21975  Sterimol/B3: 3.50877
  Sterimol/B4: 5.11388  Sterimol/L: 12.9297 
 
 Surface and Volume Properties
  Accessible surface: 405.273  Positive charged surface: 326.325  Negative charged surface: 78.9473  Volume: 185.125
  Hydrophobic surface: 275.531  Hydrophilic surface: 129.742
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 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: no related molecules available.