Chelist Moleculee
cas:76-99-3
einecs:200-996-9
smiles:CCC(=O)C(C[C@H](C)N(C)C)(c1ccccc1)c2ccccc2
name:Methadone
MW:309.4452
formula:C21H27NO
InChi:
InChiKey:
SMARTS:

Search by similarity
Tanimoto index:
The algorithm applies nearest neighbor searching that finds molecules similar to the query object. The calculation applies the Tanimoto (or Jaccard) coefficient that is calculated by the following formula in the case of binary fingerprint (bit string) input: T(A,B) = NA&B/(NA+NB-NA&B) where NA and NB are the number of bits set in the bit strings of molecules A and B, respectively, NA&B is the number of bits that are set in both.

Inventory List where this chemical is present

DNT list (71): A database of developmental neurotoxicants (International Research Projects)
TOXCAST PHASE II (535): US EPA ToxCast list - phase II (International Research Projects)
REACH PRS (143835): ECHA list of pre-registered substances (Regulatory)
JRC METABOLISM BIOACCUMULATION (94): JRC ADME - Human bioaccumulation potential and human and rat metabolic stability and metabolite identification (JRC Projects)