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DocumentationIdentifier: MM289231
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM289231 |
| SMILES |
C#CC(CC#N)NCCO
|
| InChIKey |
RWVHTNXOZZRWKA-UHFFFAOYSA-N
|
| MW [Da] |
138.17
Automatically obtained from RDkit software. |
| LogP |
-0.52
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM199080
Similarity: 0.7453
Similarity to MM199080
| Tanimoto metric | 0.7453 |
|---|---|
| Cosine metric | 0.8633 |
| Dice metric | 0.8541 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.02 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM44943
Similarity: 0.7179
Similarity to MM44943
| Tanimoto metric | 0.7179 |
|---|---|
| Cosine metric | 0.8371 |
| Dice metric | 0.8358 |
| MW: | 132.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM46574
Similarity: 0.68
Similarity to MM46574
| Tanimoto metric | 0.68 |
|---|---|
| Cosine metric | 0.8096 |
| Dice metric | 0.8095 |
| MW: | 134.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.68 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+45 more
