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DocumentationIdentifier: MM87879
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM87879 |
| SMILES |
C#CCCC(C#N)NC=O
|
| InChIKey |
JUDOKQMCGQTXGS-UHFFFAOYSA-N
|
| MW [Da] |
136.15
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
MM51278
Similarity: 0.785
Similarity to MM51278
| Tanimoto metric | 0.785 |
|---|---|
| Cosine metric | 0.886 |
| Dice metric | 0.8796 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM87826
Similarity: 0.7059
Similarity to MM87826
| Tanimoto metric | 0.7059 |
|---|---|
| Cosine metric | 0.8288 |
| Dice metric | 0.8276 |
| MW: | 137.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM304952
Similarity: 0.6822
Similarity to MM304952
| Tanimoto metric | 0.6822 |
|---|---|
| Cosine metric | 0.826 |
| Dice metric | 0.8111 |
| MW: | 125.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.53 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+128 more
