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DocumentationIdentifier: MM307995
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM307995 |
| SMILES |
CC(CO)(CO)CNC=N
|
| InChIKey |
SPNFUTYHCQLJJG-UHFFFAOYSA-N
|
| MW [Da] |
146.19
Automatically obtained from RDkit software. |
| LogP |
-0.83
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM138220
Similarity: 0.8481
Similarity to MM138220
| Tanimoto metric | 0.8481 |
|---|---|
| Cosine metric | 0.9209 |
| Dice metric | 0.9178 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM198651
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| Tanimoto metric | 0.7722 |
|---|---|
| Cosine metric | 0.8787 |
| Dice metric | 0.8714 |
| MW: | 132.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.22 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM112653
Similarity: 0.6709
Similarity to MM112653
| Tanimoto metric | 0.6709 |
|---|---|
| Cosine metric | 0.8191 |
| Dice metric | 0.803 |
| MW: | 116.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.19 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+279 more
