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DocumentationIdentifier: MM440076
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM440076 |
| SMILES |
C#CCCC1CN1CCN
|
| InChIKey |
BCYNRXURJCPFJU-UHFFFAOYSA-N
|
| MW [Da] |
138.21
Automatically obtained from RDkit software. |
| LogP |
0.04
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM194644
Similarity: 0.8195
Similarity to MM194644
| Tanimoto metric | 0.8195 |
|---|---|
| Cosine metric | 0.9053 |
| Dice metric | 0.9008 |
| MW: | 128.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.43 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM440021
Similarity: 0.7051
Similarity to MM440021
| Tanimoto metric | 0.7051 |
|---|---|
| Cosine metric | 0.8271 |
| Dice metric | 0.8271 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.6 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM433894
Similarity: 0.6728
Similarity to MM433894
| Tanimoto metric | 0.6728 |
|---|---|
| Cosine metric | 0.8046 |
| Dice metric | 0.8044 |
| MW: | 142.25 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.82 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+248 more
