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DocumentationIdentifier: MM194802
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM194802 |
| SMILES |
C#CCC1CN1CC#C
|
| InChIKey |
DWALYKFUEFIGHZ-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
MM440926
Similarity: 0.8647
Similarity to MM440926
| Tanimoto metric | 0.8647 |
|---|---|
| Cosine metric | 0.9299 |
| Dice metric | 0.9274 |
| MW: | 133.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.72 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM127726
Similarity: 0.8087
Similarity to MM127726
| Tanimoto metric | 0.8087 |
|---|---|
| Cosine metric | 0.8993 |
| Dice metric | 0.8942 |
| MW: | 109.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.71 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM435816
Similarity: 0.7986
Similarity to MM435816
| Tanimoto metric | 0.7986 |
|---|---|
| Cosine metric | 0.8937 |
| Dice metric | 0.888 |
| MW: | 133.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.72 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+251 more
