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DocumentationIdentifier: MM358973
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM358973 |
| SMILES |
C#CCNC(=N)C#CCC
|
| InChIKey |
RXOIFZYZXZPNLY-UHFFFAOYSA-N
|
| MW [Da] |
134.18
Automatically obtained from RDkit software. |
| LogP |
0.6
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM57597
Similarity: 0.809
Similarity to MM57597
| Tanimoto metric | 0.809 |
|---|---|
| Cosine metric | 0.8994 |
| Dice metric | 0.8944 |
| MW: | 120.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.21 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM371215
Similarity: 0.8
Similarity to MM371215
| Tanimoto metric | 0.8 |
|---|---|
| Cosine metric | 0.8896 |
| Dice metric | 0.8889 |
| MW: | 134.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.6 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM282828
Similarity: 0.7822
Similarity to MM282828
| Tanimoto metric | 0.7822 |
|---|---|
| Cosine metric | 0.8778 |
| Dice metric | 0.8778 |
| MW: | 134.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.6 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+450 more
