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NCID-ZINC05608232

 MMsINC code: MMs02480275
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)=71.4205 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: 0.192375  Sterimol/B1: 2.34097  Sterimol/B2: 3.69405  Sterimol/B3: 4.10149
  Sterimol/B4: 4.15795  Sterimol/L: 11.0632 
 
 Surface and Volume Properties
  Accessible surface: 362.234  Positive charged surface: 262.535  Negative charged surface: 99.6988  Volume: 174.625
  Hydrophobic surface: 264.869  Hydrophilic surface: 97.365
 
 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


MMs02480276
NCID-ZINC05608232