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DocumentationIdentifier: MM360127
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM360127 |
| SMILES |
CC(=NCCO)NCCO
|
| InChIKey |
JQSIIVUWGMMGPR-UHFFFAOYSA-N
|
| MW [Da] |
146.19
Automatically obtained from RDkit software. |
| LogP |
-1.02
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM237872
Similarity: 0.7475
Similarity to MM237872
| Tanimoto metric | 0.7475 |
|---|---|
| Cosine metric | 0.8567 |
| Dice metric | 0.8555 |
| MW: | 144.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.4 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM88440
Similarity: 0.7327
Similarity to MM88440
| Tanimoto metric | 0.7327 |
|---|---|
| Cosine metric | 0.8474 |
| Dice metric | 0.8457 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.17 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM66467
Similarity: 0.7255
Similarity to MM66467
| Tanimoto metric | 0.7255 |
|---|---|
| Cosine metric | 0.8429 |
| Dice metric | 0.8409 |
| MW: | 140.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.38 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+315 more
