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ACROSORGANICS-ZINC00119431

 MMsINC code: MMs00004113
Type: Neutral
Formula: C10H9NO
SMILES:   Oc1c2c(cccc2)c(N)cc1
InChI:   InChI=1/C10H9NO/c11-9-5-6-10(12)8-4-2-1-3-7(8)9/h1-6,12H,11H2

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=54.8936 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 159.188 g/mol  logS: -2.62169  SlogP: 2.1276  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0071007  Sterimol/B1: 2.11068  Sterimol/B2: 2.22551  Sterimol/B3: 2.87921
  Sterimol/B4: 6.20566  Sterimol/L: 10.082 
 
 Surface and Volume Properties
  Accessible surface: 342.209  Positive charged surface: 194.491  Negative charged surface: 136.647  Volume: 156.125
  Hydrophobic surface: 242.382  Hydrophilic surface: 99.827
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 1  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.