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DocumentationIdentifier: MM268365
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM268365 |
| SMILES |
C=CC(N)C(O)CC(C)O
|
| InChIKey |
CEEGIQGZJYTICN-UHFFFAOYSA-N
|
| MW [Da] |
145.2
Automatically obtained from RDkit software. |
| LogP |
-0.37
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM172076
Similarity: 0.7385
Similarity to MM172076
| Tanimoto metric | 0.7385 |
|---|---|
| Cosine metric | 0.8593 |
| Dice metric | 0.8496 |
| MW: | 131.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.76 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM348503
Similarity: 0.6978
Similarity to MM348503
| Tanimoto metric | 0.6978 |
|---|---|
| Cosine metric | 0.8263 |
| Dice metric | 0.822 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.83 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM133489
Similarity: 0.6692
Similarity to MM133489
| Tanimoto metric | 0.6692 |
|---|---|
| Cosine metric | 0.8181 |
| Dice metric | 0.8018 |
| MW: | 133.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.53 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+350 more
