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DocumentationIdentifier: MM374587
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM374587 |
| SMILES |
CC1(CCCNC=N)CN1
|
| InChIKey |
GTYYRKXEBZNHTM-UHFFFAOYSA-N
|
| MW [Da] |
141.22
Automatically obtained from RDkit software. |
| LogP |
0.33
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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MM176142
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| Tanimoto metric | 0.8649 |
|---|---|
| Cosine metric | 0.93 |
| Dice metric | 0.9275 |
| MW: | 128.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM115709
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| Tanimoto metric | 0.7748 |
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| Cosine metric | 0.8802 |
| Dice metric | 0.8731 |
| MW: | 114.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM325059
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Similarity to MM325059
| Tanimoto metric | 0.7348 |
|---|---|
| Cosine metric | 0.8476 |
| Dice metric | 0.8472 |
| MW: | 142.25 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.74 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+185 more
