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DocumentationIdentifier: MM304352
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM304352 |
| SMILES |
N#CCC(=CCO)NC=O
|
| InChIKey |
SVUPWPRYVAEXIP-UHFFFAOYSA-N
|
| MW [Da] |
140.14
Automatically obtained from RDkit software. |
| LogP |
-0.48
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM51537
Similarity: 0.7742
Similarity to MM51537
| Tanimoto metric | 0.7742 |
|---|---|
| Cosine metric | 0.8799 |
| Dice metric | 0.8727 |
| MW: | 124.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.55 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM304071
Similarity: 0.6879
Similarity to MM304071
| Tanimoto metric | 0.6879 |
|---|---|
| Cosine metric | 0.8158 |
| Dice metric | 0.8151 |
| MW: | 145.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.01 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM75371
Similarity: 0.6713
Similarity to MM75371
| Tanimoto metric | 0.6713 |
|---|---|
| Cosine metric | 0.8039 |
| Dice metric | 0.8033 |
| MW: | 135.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+219 more
