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NCID-ZINC05601382

 MMsINC code: MMs02479370
Type: Neutral
Formula: C10H16O2
SMILES:   O1C2C1(CC(CC2O)C(C)=C)C
InChI:   InChI=1/C10H16O2/c1-6(2)7-4-8(11)9-10(3,5-7)12-9/h7-9,11H,1,4-5H2,2-3H3/t7-,8+,9+,10-/m0/s1

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Potential Energy
Epot(MMFF94)=35.2312 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 168.236 g/mol  logS: -1.76908  SlogP: 1.4909  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.222312  Sterimol/B1: 2.14327  Sterimol/B2: 3.93969  Sterimol/B3: 4.89465
  Sterimol/B4: 5.3915  Sterimol/L: 10.4098 
 
 Surface and Volume Properties
  Accessible surface: 376.043  Positive charged surface: 247.156  Negative charged surface: 128.887  Volume: 179.125
  Hydrophobic surface: 271.867  Hydrophilic surface: 104.176
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 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.