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PUBCHEM-ZINC01757747

 MMsINC code: MMs02820107
Type: Neutral
Formula: C11H11NO2
SMILES:   Oc1c2nc(C)c(cc2ccc1)CO
InChI:   InChI=1/C11H11NO2/c1-7-9(6-13)5-8-3-2-4-10(14)11(8)12-7/h2-5,13-14H,6H2,1H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=57.396 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 189.214 g/mol  logS: -1.69588  SlogP: 2.00752  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0218338  Sterimol/B1: 2.40114  Sterimol/B2: 2.47356  Sterimol/B3: 2.51562
  Sterimol/B4: 6.34106  Sterimol/L: 11.1894 
 
 Surface and Volume Properties
  Accessible surface: 386.553  Positive charged surface: 247.895  Negative charged surface: 133.066  Volume: 182.125
  Hydrophobic surface: 269.357  Hydrophilic surface: 117.196
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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.