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CHEMSTAR-ZINC00001550

 MMsINC code: MMs01072057
Type: Neutral
Formula: C10H14O2
SMILES:   OC12CC3CC(C1)CC(C2)C3=O
InChI:   InChI=1/C10H14O2/c11-9-7-1-6-2-8(9)5-10(12,3-6)4-7/h6-8,12H,1-5H2/t6-,7-,8+,10-

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Potential Energy
Epot(MMFF94)=31.668 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 166.22 g/mol  logS: -0.76401  SlogP: 1.1265  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.740159  Sterimol/B1: 2.39612  Sterimol/B2: 3.42063  Sterimol/B3: 4.85643
  Sterimol/B4: 4.9586  Sterimol/L: 8.51474 
 
 Surface and Volume Properties
  Accessible surface: 326.544  Positive charged surface: 231.831  Negative charged surface: 94.7128  Volume: 159.75
  Hydrophobic surface: 245.088  Hydrophilic surface: 81.456
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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: no related molecules available.