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DocumentationIdentifier: MM239270
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM239270 |
| SMILES |
CC(C)(CO)CNCCO
|
| InChIKey |
VJYRBYRVGZSONY-UHFFFAOYSA-N
|
| MW [Da] |
147.22
Automatically obtained from RDkit software. |
| LogP |
-0.41
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM138141
Similarity: 0.8592
Similarity to MM138141
| Tanimoto metric | 0.8592 |
|---|---|
| Cosine metric | 0.9269 |
| Dice metric | 0.9242 |
| MW: | 131.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.61 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM239269
Similarity: 0.8026
Similarity to MM239269
| Tanimoto metric | 0.8026 |
|---|---|
| Cosine metric | 0.8911 |
| Dice metric | 0.8905 |
| MW: | 145.25 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM227783
Similarity: 0.7439
Similarity to MM227783
| Tanimoto metric | 0.7439 |
|---|---|
| Cosine metric | 0.8532 |
| Dice metric | 0.8531 |
| MW: | 145.25 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+447 more
