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NCID-ZINC01676353

 MMsINC code: MMs02311566
Type: Neutral
Formula: C9H12O2
SMILES:   OCc1ccccc1CCO
InChI:   InChI=1/C9H12O2/c10-6-5-8-3-1-2-4-9(8)7-11/h1-4,10-11H,5-7H2

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=35.1517 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 152.193 g/mol  logS: -0.98839  SlogP: 0.98007  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.108782  Sterimol/B1: 2.43537  Sterimol/B2: 2.55128  Sterimol/B3: 2.89592
  Sterimol/B4: 7.00158  Sterimol/L: 10.8083 
 
 Surface and Volume Properties
  Accessible surface: 354.358  Positive charged surface: 233.565  Negative charged surface: 120.793  Volume: 158.125
  Hydrophobic surface: 244.479  Hydrophilic surface: 109.879
 
 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: no related molecules available.