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DocumentationIdentifier: MM455405
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM455405 |
| SMILES |
C=COC=CC#CCNC
|
| InChIKey |
ACRFXOBGHLYHLB-UHFFFAOYSA-N
|
| MW [Da] |
137.18
Automatically obtained from RDkit software. |
| LogP |
0.88
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM215806
Similarity: 0.8209
Similarity to MM215806
| Tanimoto metric | 0.8209 |
|---|---|
| Cosine metric | 0.906 |
| Dice metric | 0.9016 |
| MW: | 123.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.62 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM455288
Similarity: 0.7821
Similarity to MM455288
| Tanimoto metric | 0.7821 |
|---|---|
| Cosine metric | 0.8783 |
| Dice metric | 0.8777 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.76 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM457931
Similarity: 0.7746
Similarity to MM457931
| Tanimoto metric | 0.7746 |
|---|---|
| Cosine metric | 0.8748 |
| Dice metric | 0.873 |
| MW: | 137.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.01 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+524 more
