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ACROSORGANICS-ZINC02545304

 MMsINC code: MMs00014151
Type: Neutral
Formula: C10H16O
SMILES:   O1C2CC(CCC12C)C(C)=C
InChI:   InChI=1/C10H16O/c1-7(2)8-4-5-10(3)9(6-8)11-10/h8-9H,1,4-6H2,2-3H3/t8-,9+,10-/m1/s1

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Potential Energy
Epot(MMFF94)=30.9542 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 152.237 g/mol  logS: -2.17339  SlogP: 2.5201  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.18627  Sterimol/B1: 2.17085  Sterimol/B2: 3.26594  Sterimol/B3: 3.84881
  Sterimol/B4: 4.6985  Sterimol/L: 11.2297 
 
 Surface and Volume Properties
  Accessible surface: 361.99  Positive charged surface: 241.073  Negative charged surface: 120.917  Volume: 172.875
  Hydrophobic surface: 307.04  Hydrophilic surface: 54.95
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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.