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PUBCHEM-ZINC06411948

 MMsINC code: MMs03715140
Type: Neutral
Formula: C10H21NO5
SMILES:   O1C(CNC(CC)CO)C(O)C(O)C1OC
InChI:   InChI=1/C10H21NO5/c1-3-6(5-12)11-4-7-8(13)9(14)10(15-2)16-7/h6-14H,3-5H2,1-2H3/t6-,7+,8+,9-,10+/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=73.9532 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 235.28 g/mol  logS: 0.40631  SlogP: -1.56  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.139256  Sterimol/B1: 2.47793  Sterimol/B2: 4.7764  Sterimol/B3: 4.96278
  Sterimol/B4: 5.34968  Sterimol/L: 12.4188 
 
 Surface and Volume Properties
  Accessible surface: 484.346  Positive charged surface: 397.383  Negative charged surface: 86.9636  Volume: 228.125
  Hydrophobic surface: 299.163  Hydrophilic surface: 185.183
 
 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


MMs03715141
PUBCHEM-ZINC06411948