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DocumentationIdentifier: MM455715
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM455715 |
| SMILES |
CNCC#CC#CCNC
|
| InChIKey |
AYSUGAJFRJWMDZ-UHFFFAOYSA-N
|
| MW [Da] |
136.2
Automatically obtained from RDkit software. |
| LogP |
-0.57
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM60609
Similarity: 1
Similarity to MM60609
| Tanimoto metric | 1 |
|---|---|
| Cosine metric | 1 |
| Dice metric | 1 |
| MW: | 122.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.83 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM57865
Similarity: 0.9487
Similarity to MM57865
| Tanimoto metric | 0.9487 |
|---|---|
| Cosine metric | 0.974 |
| Dice metric | 0.9737 |
| MW: | 107.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM458770
Similarity: 0.8298
Similarity to MM458770
| Tanimoto metric | 0.8298 |
|---|---|
| Cosine metric | 0.9109 |
| Dice metric | 0.907 |
| MW: | 136.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.44 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+301 more
