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ACROSORGANICS-ZINC00001521

 MMsINC code: MMs00002617
Type: Neutral
Formula: C7H8O2
SMILES:   O(C)c1ccccc1O
InChI:   InChI=1/C7H8O2/c1-9-7-5-3-2-4-6(7)8/h2-5,8H,1H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=37.6797 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 124.139 g/mol  logS: -1.07331  SlogP: 1.4008  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0301812  Sterimol/B1: 2.32559  Sterimol/B2: 2.4186  Sterimol/B3: 4.19046
  Sterimol/B4: 4.24615  Sterimol/L: 9.74576 
 
 Surface and Volume Properties
  Accessible surface: 305.734  Positive charged surface: 209.427  Negative charged surface: 96.3079  Volume: 124.375
  Hydrophobic surface: 248.044  Hydrophilic surface: 57.69
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.