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PUBCHEM-ZINC05998330

 MMsINC code: MMs03482372
Type: Neutral
Formula: C7H15NO5
SMILES:   O1C(CN)C(O)C(O)C(O)C1OC
InChI:   InChI=1/C7H15NO5/c1-12-7-6(11)5(10)4(9)3(2-8)13-7/h3-7,9-11H,2,8H2,1H3/t3-,4+,5+,6-,7-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=56.8047 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 193.199 g/mol  logS: 1.01087  SlogP: -2.6009  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.151811  Sterimol/B1: 2.26649  Sterimol/B2: 2.93829  Sterimol/B3: 3.23928
  Sterimol/B4: 7.84241  Sterimol/L: 10.3648 
 
 Surface and Volume Properties
  Accessible surface: 378.883  Positive charged surface: 314.51  Negative charged surface: 64.3733  Volume: 172.125
  Hydrophobic surface: 190.66  Hydrophilic surface: 188.223
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  Chiral centers: 5
 
 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


MMs03482373
PUBCHEM-ZINC05998330