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DocumentationIdentifier: MM172347
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM172347 |
| SMILES |
C=C(CC)C(C)CNC
|
| InChIKey |
VATNGPLSIIFUDX-UHFFFAOYSA-N
|
| MW [Da] |
127.23
Automatically obtained from RDkit software. |
| LogP |
1.81
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM89059
Similarity: 0.8842
Similarity to MM89059
| Tanimoto metric | 0.8842 |
|---|---|
| Cosine metric | 0.9403 |
| Dice metric | 0.9385 |
| MW: | 142.25 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.75 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM298080
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Similarity to MM298080
| Tanimoto metric | 0.8842 |
|---|---|
| Cosine metric | 0.9403 |
| Dice metric | 0.9385 |
| MW: | 141.26 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM348921
Similarity: 0.8235
Similarity to MM348921
| Tanimoto metric | 0.8235 |
|---|---|
| Cosine metric | 0.9075 |
| Dice metric | 0.9032 |
| MW: | 141.26 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+606 more
