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PUBCHEM-ZINC06257698

 MMsINC code: MMs03643338
Type: Neutral
Formula: C10H17NO5
SMILES:   O1C2C(OC1(C)C)CC(O)(CC2O)C(=O)N
InChI:   InChI=1/C10H17NO5/c1-9(2)15-6-4-10(14,8(11)13)3-5(12)7(6)16-9/h5-7,12,14H,3-4H2,1-2H3,(H2,11,13)/t5-,6-,7-,10+/m0/s1

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Potential Energy
Epot(MMFF94)=67.3214 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 231.248 g/mol  logS: -1.1609  SlogP: -1.1224  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.150151  Sterimol/B1: 2.7911  Sterimol/B2: 3.06501  Sterimol/B3: 4.07146
  Sterimol/B4: 5.10566  Sterimol/L: 12.516 
 
 Surface and Volume Properties
  Accessible surface: 412.623  Positive charged surface: 283.99  Negative charged surface: 128.633  Volume: 206.375
  Hydrophobic surface: 195.914  Hydrophilic surface: 216.709
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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: no related molecules available.