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DocumentationIdentifier: MM350001
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM350001 |
| SMILES |
C#CCCC(N)C(=C)C#C
|
| InChIKey |
YSNNPVANIWSTIB-UHFFFAOYSA-N
|
| MW [Da] |
133.19
Automatically obtained from RDkit software. |
| LogP |
0.92
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM162347
Similarity: 0.787
Similarity to MM162347
| Tanimoto metric | 0.787 |
|---|---|
| Cosine metric | 0.8872 |
| Dice metric | 0.8808 |
| MW: | 123.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM268806
Similarity: 0.6978
Similarity to MM268806
| Tanimoto metric | 0.6978 |
|---|---|
| Cosine metric | 0.825 |
| Dice metric | 0.822 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.24 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM111877
Similarity: 0.6852
Similarity to MM111877
| Tanimoto metric | 0.6852 |
|---|---|
| Cosine metric | 0.8278 |
| Dice metric | 0.8132 |
| MW: | 109.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.91 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+583 more
