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NCID-ZINC04802563

 MMsINC code: MMs02407592
Type: Neutral
Formula: C11H21NO5
SMILES:   O1C(C2OC(OC2C1OC)(C)C)CNCCO
InChI:   InChI=1/C11H21NO5/c1-11(2)16-8-7(6-12-4-5-13)15-10(14-3)9(8)17-11/h7-10,12-13H,4-6H2,1-3H3/t7-,8-,9+,10-/m0/s1

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Potential Energy
Epot(MMFF94)=84.7312 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 247.291 g/mol  logS: -0.61429  SlogP: -0.5403  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.105161  Sterimol/B1: 2.51224  Sterimol/B2: 2.55486  Sterimol/B3: 4.56729
  Sterimol/B4: 7.47061  Sterimol/L: 14.257 
 
 Surface and Volume Properties
  Accessible surface: 500.548  Positive charged surface: 407.341  Negative charged surface: 93.2067  Volume: 238.375
  Hydrophobic surface: 350.809  Hydrophilic surface: 149.739
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 6  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


MMs02407593
NCID-ZINC04802563