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DocumentationIdentifier: MM403629
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM403629 |
| SMILES |
C#CCCCC(C#N)CC
|
| InChIKey |
HJKAIKQTIRBNAD-UHFFFAOYSA-N
|
| MW [Da] |
135.21
Automatically obtained from RDkit software. |
| LogP |
2.34
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM387509
Similarity: 0.8
Similarity to MM387509
| Tanimoto metric | 0.8 |
|---|---|
| Cosine metric | 0.8903 |
| Dice metric | 0.8889 |
| MW: | 135.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM166190
Similarity: 0.7941
Similarity to MM166190
| Tanimoto metric | 0.7941 |
|---|---|
| Cosine metric | 0.8911 |
| Dice metric | 0.8852 |
| MW: | 121.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.95 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM364116
Similarity: 0.75
Similarity to MM364116
| Tanimoto metric | 0.75 |
|---|---|
| Cosine metric | 0.8599 |
| Dice metric | 0.8571 |
| MW: | 135.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+371 more
