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DocumentationIdentifier: MM216896
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM216896 |
| SMILES |
C#CCCN1CC1C#C
|
| InChIKey |
IHYQZSKHMBCFLS-UHFFFAOYSA-N
|
| MW [Da] |
119.17
Automatically obtained from RDkit software. |
| LogP |
0.33
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM127900
Similarity: 0.94
Similarity to MM127900
| Tanimoto metric | 0.94 |
|---|---|
| Cosine metric | 0.9695 |
| Dice metric | 0.9691 |
| MW: | 109.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.71 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM216861
Similarity: 0.819
Similarity to MM216861
| Tanimoto metric | 0.819 |
|---|---|
| Cosine metric | 0.9017 |
| Dice metric | 0.9005 |
| MW: | 124.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM216860
Similarity: 0.8103
Similarity to MM216860
| Tanimoto metric | 0.8103 |
|---|---|
| Cosine metric | 0.8963 |
| Dice metric | 0.8952 |
| MW: | 123.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+266 more
