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ENAMINE-ZINC03886464

 MMsINC code: MMs01527912
Type: Neutral
Formula: C10H11NO3
SMILES:   O1CCOc2c1cc(cc2)/C(=N\O)/C
InChI:   InChI=1/C10H11NO3/c1-7(11-12)8-2-3-9-10(6-8)14-5-4-13-9/h2-3,6,12H,4-5H2,1H3/b11-7+

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=66.7376 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 193.202 g/mol  logS: -1.76197  SlogP: 1.656  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0262254  Sterimol/B1: 2.86999  Sterimol/B2: 2.9443  Sterimol/B3: 3.52568
  Sterimol/B4: 4.93742  Sterimol/L: 12.3479 
 
 Surface and Volume Properties
  Accessible surface: 391.007  Positive charged surface: 270.323  Negative charged surface: 120.684  Volume: 180.75
  Hydrophobic surface: 294.952  Hydrophilic surface: 96.055
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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.