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DocumentationIdentifier: MM406766
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM406766 |
| SMILES |
C#CC(CC)NC=NCC
|
| InChIKey |
DRIBKOVATINTNR-UHFFFAOYSA-N
|
| MW [Da] |
138.21
Automatically obtained from RDkit software. |
| LogP |
1.04
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM373027
Similarity: 0.7347
Similarity to MM373027
| Tanimoto metric | 0.7347 |
|---|---|
| Cosine metric | 0.8518 |
| Dice metric | 0.8471 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM388431
Similarity: 0.7257
Similarity to MM388431
| Tanimoto metric | 0.7257 |
|---|---|
| Cosine metric | 0.8416 |
| Dice metric | 0.841 |
| MW: | 134.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM168413
Similarity: 0.7021
Similarity to MM168413
| Tanimoto metric | 0.7021 |
|---|---|
| Cosine metric | 0.8379 |
| Dice metric | 0.825 |
| MW: | 124.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.65 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+373 more
