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VITASM-ZINC04775483

 MMsINC code: MMs03964891
Type: Neutral
Formula: C7H13NO5
SMILES:   O(CC(=O)NCCOC)CC(O)=O
InChI:   InChI=1/C7H13NO5/c1-12-3-2-8-6(9)4-13-5-7(10)11/h2-5H2,1H3,(H,8,9)(H,10,11)

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Potential Energy
Epot(MMFF94)=39.8874 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 191.183 g/mol  logS: -0.04423  SlogP: -1.1498  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0280727  Sterimol/B1: 2.21893  Sterimol/B2: 2.28236  Sterimol/B3: 3.19726
  Sterimol/B4: 4.74213  Sterimol/L: 15.5348 
 
 Surface and Volume Properties
  Accessible surface: 425.259  Positive charged surface: 332.082  Negative charged surface: 93.177  Volume: 175.125
  Hydrophobic surface: 254.8  Hydrophilic surface: 170.459
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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


MMs03964892
VITASM-ZINC04775483