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PUBCHEM-ZINC05566768

 MMsINC code: MMs03308773
Type: Neutral
Formula: C10H16O2
SMILES:   OC(=O)CC=1CCCCCCC=1
InChI:   InChI=1/C10H16O2/c11-10(12)8-9-6-4-2-1-3-5-7-9/h6H,1-5,7-8H2,(H,11,12)/b9-6-

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Potential Energy
Epot(MMFF94)=77.6627 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 168.236 g/mol  logS: -2.58417  SlogP: 2.7417  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.244006  Sterimol/B1: 2.25597  Sterimol/B2: 3.96642  Sterimol/B3: 4.53885
  Sterimol/B4: 4.76743  Sterimol/L: 10.5519 
 
 Surface and Volume Properties
  Accessible surface: 361.493  Positive charged surface: 258.973  Negative charged surface: 102.52  Volume: 175.5
  Hydrophobic surface: 263.565  Hydrophilic surface: 97.928
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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


MMs03308774
PUBCHEM-ZINC05566768