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DocumentationIdentifier: MM280539
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM280539 |
| SMILES |
C#CCC(=N)NC=CC=O
|
| InChIKey |
ROOYWZGRMQPVCV-UHFFFAOYSA-N
|
| MW [Da] |
136.15
Automatically obtained from RDkit software. |
| LogP |
0.29
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM157020
Similarity: 0.8252
Similarity to MM157020
| Tanimoto metric | 0.8252 |
|---|---|
| Cosine metric | 0.9084 |
| Dice metric | 0.9043 |
| MW: | 122.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM168650
Similarity: 0.8058
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| Tanimoto metric | 0.8058 |
|---|---|
| Cosine metric | 0.8977 |
| Dice metric | 0.8925 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.68 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM253335
Similarity: 0.7265
Similarity to MM253335
| Tanimoto metric | 0.7265 |
|---|---|
| Cosine metric | 0.8417 |
| Dice metric | 0.8416 |
| MW: | 136.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+125 more
