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DocumentationIdentifier: MM388252
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM388252 |
| SMILES |
C=CCC(C=C)NC=NC
|
| InChIKey |
GJZOOUOAZBHMPG-UHFFFAOYSA-N
|
| MW [Da] |
138.21
Automatically obtained from RDkit software. |
| LogP |
1.36
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM406218
Similarity: 0.7431
Similarity to MM406218
| Tanimoto metric | 0.7431 |
|---|---|
| Cosine metric | 0.8534 |
| Dice metric | 0.8526 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.59 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM156775
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Similarity to MM156775
| Tanimoto metric | 0.7374 |
|---|---|
| Cosine metric | 0.8587 |
| Dice metric | 0.8488 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM353238
Similarity: 0.7063
Similarity to MM353238
| Tanimoto metric | 0.7063 |
|---|---|
| Cosine metric | 0.8305 |
| Dice metric | 0.8279 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+432 more
