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DocumentationIdentifier: MM75370
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM75370 |
| SMILES |
N#CC=C(CC=O)NC=O
|
| InChIKey |
ICEWOFUBVPLARN-UHFFFAOYSA-N
|
| MW [Da] |
138.13
Automatically obtained from RDkit software. |
| LogP |
-0.27
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM75371
Similarity: 0.6929
Similarity to MM75371
| Tanimoto metric | 0.6929 |
|---|---|
| Cosine metric | 0.8189 |
| Dice metric | 0.8186 |
| MW: | 135.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM75368
Similarity: 0.6643
Similarity to MM75368
| Tanimoto metric | 0.6643 |
|---|---|
| Cosine metric | 0.7992 |
| Dice metric | 0.7983 |
| MW: | 141.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.6 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM304196
Similarity: 0.651
Similarity to MM304196
| Tanimoto metric | 0.651 |
|---|---|
| Cosine metric | 0.7886 |
| Dice metric | 0.7886 |
| MW: | 140.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.48 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+40 more
