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PUBCHEM-ZINC06036000

 MMsINC code: MMs03505746
Type: Neutral
Formula: C10H19NO5
SMILES:   OC(C(C(O)C)(C)C)C(=O)NCCC(O)=O
InChI:   InChI=1/C10H19NO5/c1-6(12)10(2,3)8(15)9(16)11-5-4-7(13)14/h6,8,12,15H,4-5H2,1-3H3,(H,11,16)(H,13,14)/t6-,8-/m1/s1

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Potential Energy
Epot(MMFF94)=48.1816 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 233.264 g/mol  logS: -0.16831  SlogP: -0.6548  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.107378  Sterimol/B1: 2.44711  Sterimol/B2: 3.0121  Sterimol/B3: 4.07853
  Sterimol/B4: 5.27709  Sterimol/L: 14.3694 
 
 Surface and Volume Properties
  Accessible surface: 435.846  Positive charged surface: 272.952  Negative charged surface: 162.894  Volume: 220.375
  Hydrophobic surface: 181.068  Hydrophilic surface: 254.778
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  Hydrogen bond acceptors: 5  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


MMs03505747
PUBCHEM-ZINC06036000