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PUBCHEM-ZINC02164122

 MMsINC code: MMs02878317
Type: Neutral
Formula: C10H23NO3
SMILES:   OC(CC)CN(CC(O)CC)CCO
InChI:   InChI=1/C10H23NO3/c1-3-9(13)7-11(5-6-12)8-10(14)4-2/h9-10,12-14H,3-8H2,1-2H3/t9-,10+

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Potential Energy
Epot(MMFF94)=61.5786 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 205.298 g/mol  logS: 0.06123  SlogP: -0.1775  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.123749  Sterimol/B1: 2.91245  Sterimol/B2: 2.99971  Sterimol/B3: 3.59231
  Sterimol/B4: 6.75471  Sterimol/L: 13.5144 
 
 Surface and Volume Properties
  Accessible surface: 453.733  Positive charged surface: 360.167  Negative charged surface: 93.5653  Volume: 222.5
  Hydrophobic surface: 301.413  Hydrophilic surface: 152.32
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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


MMs02878318
PUBCHEM-ZINC02164122