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NCID-ZINC01736144

 MMsINC code: MMs02357798
Type: Neutral
Formula: C16H18N2O2
SMILES:   O(C)c1ccc(cc1)CN\N=C\c1ccc(OC)cc1
InChI:   InChI=1/C16H18N2O2/c1-19-15-7-3-13(4-8-15)11-17-18-12-14-5-9-16(20-2)10-6-14/h3-11,18H,12H2,1-2H3/b17-11+

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=90.4147 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 270.332 g/mol  logS: -3.05171  SlogP: 3.0939  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0337011  Sterimol/B1: 2.74977  Sterimol/B2: 3.71452  Sterimol/B3: 4.07168
  Sterimol/B4: 4.65039  Sterimol/L: 20.2745 
 
 Surface and Volume Properties
  Accessible surface: 561.375  Positive charged surface: 407.914  Negative charged surface: 153.461  Volume: 276.75
  Hydrophobic surface: 491.52  Hydrophilic surface: 69.855
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.