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NCID-ZINC01664590

 MMsINC code: MMs02300826
Type: Neutral
Formula: C10H19NO5
SMILES:   O(C(=O)C(CC(OC)=O)CN(CCO)C)C
InChI:   InChI=1/C10H19NO5/c1-11(4-5-12)7-8(10(14)16-3)6-9(13)15-2/h8,12H,4-7H2,1-3H3/t8-/m1/s1

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Potential Energy
Epot(MMFF94)=37.4214 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 233.264 g/mol  logS: 0.25937  SlogP: -0.7372  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.107703  Sterimol/B1: 2.0047  Sterimol/B2: 4.70023  Sterimol/B3: 4.76361
  Sterimol/B4: 5.95406  Sterimol/L: 12.4539 
 
 Surface and Volume Properties
  Accessible surface: 470.189  Positive charged surface: 411.177  Negative charged surface: 59.0113  Volume: 224.25
  Hydrophobic surface: 370.699  Hydrophilic surface: 99.49
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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


MMs02300827
NCID-ZINC01664590