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DocumentationIdentifier: MM272397
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM272397 |
| SMILES |
C#CCC(CC)NC(C)=N
|
| InChIKey |
ZWQXOLJQCFSPAI-UHFFFAOYSA-N
|
| MW [Da] |
138.21
Automatically obtained from RDkit software. |
| LogP |
1.38
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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| Tanimoto metric | 0.8384 |
|---|---|
| Cosine metric | 0.9156 |
| Dice metric | 0.9121 |
| MW: | 124.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.98 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.7374 |
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| Cosine metric | 0.8587 |
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||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.98 |
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MM149925
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Similarity to MM149925
| Tanimoto metric | 0.7172 |
|---|---|
| Cosine metric | 0.8469 |
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| MW: | 128.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.76 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+571 more
