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PUBCHEM-ZINC03957104

 MMsINC code: MMs03085893
Type: Neutral
Formula: C10H21NO4
SMILES:   OC1C(O)C(O)CN(CCCC)C1CO
InChI:   InChI=1/C10H21NO4/c1-2-3-4-11-5-8(13)10(15)9(14)7(11)6-12/h7-10,12-15H,2-6H2,1H3/t7-,8-,9+,10+/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=90.9383 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 219.281 g/mol  logS: 0.12869  SlogP: -1.4543  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.15413  Sterimol/B1: 3.16583  Sterimol/B2: 3.72444  Sterimol/B3: 3.78807
  Sterimol/B4: 5.34615  Sterimol/L: 12.4474 
 
 Surface and Volume Properties
  Accessible surface: 434.022  Positive charged surface: 366.484  Negative charged surface: 67.5371  Volume: 213.375
  Hydrophobic surface: 258.56  Hydrophilic surface: 175.462
 
 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


MMs03085894
PUBCHEM-ZINC03957104