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DocumentationIdentifier: MM373558
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM373558 |
| SMILES |
C#CCCN1CC1(C)C#C
|
| InChIKey |
LEHFKBPUWQZAQQ-UHFFFAOYSA-N
|
| MW [Da] |
133.19
Automatically obtained from RDkit software. |
| LogP |
0.72
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM177320
Similarity: 0.9667
Similarity to MM177320
| Tanimoto metric | 0.9667 |
|---|---|
| Cosine metric | 0.9832 |
| Dice metric | 0.9831 |
| MW: | 123.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM271665
Similarity: 0.9063
Similarity to MM271665
| Tanimoto metric | 0.9063 |
|---|---|
| Cosine metric | 0.9509 |
| Dice metric | 0.9508 |
| MW: | 137.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM373433
Similarity: 0.8795
Similarity to MM373433
| Tanimoto metric | 0.8795 |
|---|---|
| Cosine metric | 0.9366 |
| Dice metric | 0.9359 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+290 more
