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DocumentationIdentifier: MM241794
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM241794 |
| SMILES |
CC(O)(CO)C(N)CCN
|
| InChIKey |
LLWMHRTUKYSHNR-UHFFFAOYSA-N
|
| MW [Da] |
148.21
Automatically obtained from RDkit software. |
| LogP |
-1.59
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM67380
Similarity: 0.7746
Similarity to MM67380
| Tanimoto metric | 0.7746 |
|---|---|
| Cosine metric | 0.8801 |
| Dice metric | 0.873 |
| MW: | 133.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.53 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM241795
Similarity: 0.679
Similarity to MM241795
| Tanimoto metric | 0.679 |
|---|---|
| Cosine metric | 0.8096 |
| Dice metric | 0.8088 |
| MW: | 149.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.56 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM77014
Similarity: 0.6145
Similarity to MM77014
| Tanimoto metric | 0.6145 |
|---|---|
| Cosine metric | 0.7614 |
| Dice metric | 0.7612 |
| MW: | 147.22 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+251 more
