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DocumentationIdentifier: MM382179
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM382179 |
| SMILES |
C=CCCC(C=O)=CNC
|
| InChIKey |
CLFRMIZMGWWCSW-UHFFFAOYSA-N
|
| MW [Da] |
139.2
Automatically obtained from RDkit software. |
| LogP |
1.25
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM179107
Similarity: 0.8416
Similarity to MM179107
| Tanimoto metric | 0.8416 |
|---|---|
| Cosine metric | 0.9174 |
| Dice metric | 0.914 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.7624 |
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| Cosine metric | 0.8731 |
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| MW: | 125.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
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| LogP: | 0.99 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM382056
Similarity: 0.7565
Similarity to MM382056
| Tanimoto metric | 0.7565 |
|---|---|
| Cosine metric | 0.8614 |
| Dice metric | 0.8614 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.48 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+287 more
