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DocumentationIdentifier: MM75301
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM75301 |
| SMILES |
C#CC=C(CCO)OC=O
|
| InChIKey |
NIUYBVBXXRPIAA-UHFFFAOYSA-N
|
| MW [Da] |
140.14
Automatically obtained from RDkit software. |
| LogP |
0.06
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM75414
Similarity: 0.6395
Similarity to MM75414
| Tanimoto metric | 0.6395 |
|---|---|
| Cosine metric | 0.7804 |
| Dice metric | 0.7801 |
| MW: | 135.12 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.59 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM304235
Similarity: 0.6138
Similarity to MM304235
| Tanimoto metric | 0.6138 |
|---|---|
| Cosine metric | 0.7607 |
| Dice metric | 0.7607 |
| MW: | 141.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM304234
Similarity: 0.6111
Similarity to MM304234
| Tanimoto metric | 0.6111 |
|---|---|
| Cosine metric | 0.7586 |
| Dice metric | 0.7586 |
| MW: | 144.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.38 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+131 more
