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DocumentationIdentifier: MM91580
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM91580 |
| SMILES |
C#CC=COC=CNC=N
|
| InChIKey |
INJPWRPSLXUPHN-UHFFFAOYSA-N
|
| MW [Da] |
136.15
Automatically obtained from RDkit software. |
| LogP |
0.82
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM215367
Similarity: 0.8194
Similarity to MM215367
| Tanimoto metric | 0.8194 |
|---|---|
| Cosine metric | 0.9052 |
| Dice metric | 0.9008 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM452836
Similarity: 0.7229
Similarity to MM452836
| Tanimoto metric | 0.7229 |
|---|---|
| Cosine metric | 0.8392 |
| Dice metric | 0.8392 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM452831
Similarity: 0.7195
Similarity to MM452831
| Tanimoto metric | 0.7195 |
|---|---|
| Cosine metric | 0.8371 |
| Dice metric | 0.8369 |
| MW: | 140.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.59 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+277 more
