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DocumentationIdentifier: MM24055
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM24055 |
| SMILES |
C=CCCC(=O)C=C(N)N
|
| InChIKey |
JFCRXOIGCQRECG-UHFFFAOYSA-N
|
| MW [Da] |
140.19
Automatically obtained from RDkit software. |
| LogP |
0.28
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM24041
Similarity: 0.8851
Similarity to MM24041
| Tanimoto metric | 0.8851 |
|---|---|
| Cosine metric | 0.9408 |
| Dice metric | 0.939 |
| MW: | 128.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM238121
Similarity: 0.7857
Similarity to MM238121
| Tanimoto metric | 0.7857 |
|---|---|
| Cosine metric | 0.88 |
| Dice metric | 0.88 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM60238
Similarity: 0.7857
Similarity to MM60238
| Tanimoto metric | 0.7857 |
|---|---|
| Cosine metric | 0.88 |
| Dice metric | 0.88 |
| MW: | 142.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.71 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+297 more
