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DocumentationIdentifier: MM386620
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM386620 |
| SMILES |
C#CCC(CC)CCC#N
|
| InChIKey |
IHWOHYHRDRGUDI-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
MM156051
Similarity: 0.9032
Similarity to MM156051
| Tanimoto metric | 0.9032 |
|---|---|
| Cosine metric | 0.9504 |
| Dice metric | 0.9492 |
| MW: | 121.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.95 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM156001
Similarity: 0.7353
Similarity to MM156001
| Tanimoto metric | 0.7353 |
|---|---|
| Cosine metric | 0.8486 |
| Dice metric | 0.8475 |
| MW: | 121.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.95 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM233994
Similarity: 0.7179
Similarity to MM233994
| Tanimoto metric | 0.7179 |
|---|---|
| Cosine metric | 0.8382 |
| Dice metric | 0.8358 |
| MW: | 135.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+412 more
