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PUBCHEM-ZINC05650632

 MMsINC code: MMs03336931
Type: Neutral
Formula: C10H16O4
SMILES:   O(C(=O)C1CCCCC1C(O)=O)CC
InChI:   InChI=1/C10H16O4/c1-2-14-10(13)8-6-4-3-5-7(8)9(11)12/h7-8H,2-6H2,1H3,(H,11,12)/t7-,8-/m1/s1

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Potential Energy
Epot(MMFF94)=8.85293 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 200.234 g/mol  logS: -1.41754  SlogP: 1.4405  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0767489  Sterimol/B1: 2.62616  Sterimol/B2: 3.10306  Sterimol/B3: 4.07615
  Sterimol/B4: 5.84896  Sterimol/L: 12.4215 
 
 Surface and Volume Properties
  Accessible surface: 410.315  Positive charged surface: 298.096  Negative charged surface: 112.219  Volume: 194.625
  Hydrophobic surface: 285.154  Hydrophilic surface: 125.161
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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


MMs03336932
PUBCHEM-ZINC05650632