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DocumentationIdentifier: MM229519
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM229519 |
| SMILES |
C=CC(C)(C=C)NC(C)=N
|
| InChIKey |
WQLBUVGNHIVLFI-UHFFFAOYSA-N
|
| MW [Da] |
138.21
Automatically obtained from RDkit software. |
| LogP |
1.7
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM130851
Similarity: 0.8485
Similarity to MM130851
| Tanimoto metric | 0.8485 |
|---|---|
| Cosine metric | 0.9211 |
| Dice metric | 0.918 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.54 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM150127
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| Tanimoto metric | 0.7273 |
|---|---|
| Cosine metric | 0.8528 |
| Dice metric | 0.8421 |
| MW: | 124.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.31 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM227093
Similarity: 0.7241
Similarity to MM227093
| Tanimoto metric | 0.7241 |
|---|---|
| Cosine metric | 0.84 |
| Dice metric | 0.84 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.7 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+315 more
