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DocumentationIdentifier: MM342108
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM342108 |
| SMILES |
C=CC(=NC)NCC(C)O
|
| InChIKey |
RKIQVLQTBZJQDO-UHFFFAOYSA-N
|
| MW [Da] |
142.2
Automatically obtained from RDkit software. |
| LogP |
0.17
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM144739
Similarity: 0.7398
Similarity to MM144739
| Tanimoto metric | 0.7398 |
|---|---|
| Cosine metric | 0.8601 |
| Dice metric | 0.8505 |
| MW: | 128.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM200096
Similarity: 0.7236
Similarity to MM200096
| Tanimoto metric | 0.7236 |
|---|---|
| Cosine metric | 0.8506 |
| Dice metric | 0.8396 |
| MW: | 128.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.22 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM414531
Similarity: 0.6423
Similarity to MM414531
| Tanimoto metric | 0.6423 |
|---|---|
| Cosine metric | 0.7857 |
| Dice metric | 0.7822 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.37 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+258 more
