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NCID-ZINC01669202

 MMsINC code: MMs02305326
Type: Neutral
Formula: C10H16O4
SMILES:   O(C(=O)C1CCC(CC1)CC(O)=O)C
InChI:   InChI=1/C10H16O4/c1-14-10(13)8-4-2-7(3-5-8)6-9(11)12/h7-8H,2-6H2,1H3,(H,11,12)/t7-,8+

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Potential Energy
Epot(MMFF94)=25.2368 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 200.234 g/mol  logS: -1.2921  SlogP: 1.4405  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.214294  Sterimol/B1: 2.14299  Sterimol/B2: 2.9524  Sterimol/B3: 4.11205
  Sterimol/B4: 6.08589  Sterimol/L: 12.0358 
 
 Surface and Volume Properties
  Accessible surface: 400.722  Positive charged surface: 303.127  Negative charged surface: 97.5954  Volume: 192.125
  Hydrophobic surface: 284.233  Hydrophilic surface: 116.489
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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


MMs02305327
NCID-ZINC01669202