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DocumentationIdentifier: MM62950
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM62950 |
| SMILES |
CCC(C)(CO)OCCN
|
| InChIKey |
BYAMFFXETOABGK-UHFFFAOYSA-N
|
| MW [Da] |
147.22
Automatically obtained from RDkit software. |
| LogP |
0.12
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM77116
Similarity: 0.7217
Similarity to MM77116
| Tanimoto metric | 0.7217 |
|---|---|
| Cosine metric | 0.8391 |
| Dice metric | 0.8384 |
| MW: | 148.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM198590
Similarity: 0.699
Similarity to MM198590
| Tanimoto metric | 0.699 |
|---|---|
| Cosine metric | 0.8361 |
| Dice metric | 0.8229 |
| MW: | 133.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM308289
Similarity: 0.6803
Similarity to MM308289
| Tanimoto metric | 0.6803 |
|---|---|
| Cosine metric | 0.8098 |
| Dice metric | 0.8098 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.8 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+532 more
