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ACROSORGANICS-ZINC00901099

 MMsINC code: MMs00008254
Type: Neutral
Formula: C9H10O
SMILES:   OC1CCc2c1cccc2
InChI:   InChI=1/C9H10O/c10-9-6-5-7-3-1-2-4-8(7)9/h1-4,9-10H,5-6H2/t9-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=31.9533 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 134.178 g/mol  logS: -1.54154  SlogP: 1.76167  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0749424  Sterimol/B1: 2.69953  Sterimol/B2: 2.83305  Sterimol/B3: 3.37508
  Sterimol/B4: 4.67356  Sterimol/L: 9.62616 
 
 Surface and Volume Properties
  Accessible surface: 323.711  Positive charged surface: 200.719  Negative charged surface: 122.992  Volume: 140.875
  Hydrophobic surface: 278.923  Hydrophilic surface: 44.788
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.