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DocumentationIdentifier: MM282986
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM282986 |
| SMILES |
CC=CC#CC(C)NC=N
|
| InChIKey |
NKULRJOQXQAOOX-UHFFFAOYSA-N
|
| MW [Da] |
136.2
Automatically obtained from RDkit software. |
| LogP |
1.15
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM380213
Similarity: 0.729
Similarity to MM380213
| Tanimoto metric | 0.729 |
|---|---|
| Cosine metric | 0.8434 |
| Dice metric | 0.8432 |
| MW: | 132.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.37 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM357958
Similarity: 0.6555
Similarity to MM357958
| Tanimoto metric | 0.6555 |
|---|---|
| Cosine metric | 0.7942 |
| Dice metric | 0.7919 |
| MW: | 136.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM107701
Similarity: 0.6484
Similarity to MM107701
| Tanimoto metric | 0.6484 |
|---|---|
| Cosine metric | 0.8052 |
| Dice metric | 0.7867 |
| MW: | 110.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.59 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+172 more
