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DocumentationIdentifier: MM446015
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM446015 |
| SMILES |
CCC#CCC1C(C)N1C
|
| InChIKey |
ROJYHKKYBFDFAE-UHFFFAOYSA-N
|
| MW [Da] |
137.23
Automatically obtained from RDkit software. |
| LogP |
1.49
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM212641
Similarity: 0.9724
Similarity to MM212641
| Tanimoto metric | 0.9724 |
|---|---|
| Cosine metric | 0.9861 |
| Dice metric | 0.986 |
| MW: | 123.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM446019
Similarity: 0.9108
Similarity to MM446019
| Tanimoto metric | 0.9108 |
|---|---|
| Cosine metric | 0.9539 |
| Dice metric | 0.9533 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM446132
Similarity: 0.8704
Similarity to MM446132
| Tanimoto metric | 0.8704 |
|---|---|
| Cosine metric | 0.9316 |
| Dice metric | 0.9307 |
| MW: | 133.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.72 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+180 more
