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DocumentationIdentifier: MM238199
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM238199 |
| SMILES |
CC=CCC(=O)C=C(N)N
|
| InChIKey |
DRMAISFEJVLVFE-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 |
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MM136240
Similarity: 0.8202
Similarity to MM136240
| Tanimoto metric | 0.8202 |
|---|---|
| Cosine metric | 0.9057 |
| Dice metric | 0.9012 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM157419
Similarity: 0.7978
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| Tanimoto metric | 0.7978 |
|---|---|
| Cosine metric | 0.8932 |
| Dice metric | 0.8875 |
| MW: | 125.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.99 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM280733
Similarity: 0.703
Similarity to MM280733
| Tanimoto metric | 0.703 |
|---|---|
| Cosine metric | 0.8261 |
| Dice metric | 0.8256 |
| MW: | 137.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+288 more
