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ACROSORGANICS-ZINC00388587

 MMsINC code: MMs00007080
Type: Neutral
Formula: C8H11NO
SMILES:   Oc1cc(N(C)C)ccc1
InChI:   InChI=1/C8H11NO/c1-9(2)7-4-3-5-8(10)6-7/h3-6,10H,1-2H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=40.061 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 137.182 g/mol  logS: -0.95034  SlogP: 1.4582  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0366489  Sterimol/B1: 2.39327  Sterimol/B2: 2.63438  Sterimol/B3: 3.15074
  Sterimol/B4: 4.65092  Sterimol/L: 10.0954 
 
 Surface and Volume Properties
  Accessible surface: 332.723  Positive charged surface: 247.049  Negative charged surface: 85.6743  Volume: 147.375
  Hydrophobic surface: 280.736  Hydrophilic surface: 51.987
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.