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DocumentationIdentifier: MM304235
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM304235 |
| SMILES |
N#CC=C(CCO)OC=O
|
| InChIKey |
VSXQOEYBGZHXBH-UHFFFAOYSA-N
|
| MW [Da] |
141.13
Automatically obtained from RDkit software. |
| LogP |
-0.05
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM304437
Similarity: 0.6985
Similarity to MM304437
| Tanimoto metric | 0.6985 |
|---|---|
| Cosine metric | 0.8226 |
| Dice metric | 0.8225 |
| MW: | 136.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.48 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM304234
Similarity: 0.6224
Similarity to MM304234
| Tanimoto metric | 0.6224 |
|---|---|
| Cosine metric | 0.7673 |
| Dice metric | 0.7672 |
| MW: | 144.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.38 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM75301
Similarity: 0.6138
Similarity to MM75301
| Tanimoto metric | 0.6138 |
|---|---|
| Cosine metric | 0.7607 |
| Dice metric | 0.7607 |
| MW: | 140.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+118 more
