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PUBCHEM-ZINC03799253

 MMsINC code: MMs03076585
Type: Neutral
Formula: C11H23NO4
SMILES:   OC1C(O)C(O)CN(CCCCC)C1CO
InChI:   InChI=1/C11H23NO4/c1-2-3-4-5-12-6-9(14)11(16)10(15)8(12)7-13/h8-11,13-16H,2-7H2,1H3/t8-,9+,10-,11-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=66.2486 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 233.308 g/mol  logS: -0.38653  SlogP: -1.0642  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0653493  Sterimol/B1: 2.99703  Sterimol/B2: 3.11879  Sterimol/B3: 4.88962
  Sterimol/B4: 4.94495  Sterimol/L: 14.2221 
 
 Surface and Volume Properties
  Accessible surface: 471.146  Positive charged surface: 378.851  Negative charged surface: 92.2948  Volume: 234.5
  Hydrophobic surface: 278.307  Hydrophilic surface: 192.839
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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


MMs03076586
PUBCHEM-ZINC03799253