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DocumentationIdentifier: MM250537
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM250537 |
| SMILES |
CC(C)CCC(O)CC#N
|
| InChIKey |
OQHZIIBPXIBTGN-UHFFFAOYSA-N
|
| MW [Da] |
141.21
Automatically obtained from RDkit software. |
| LogP |
1.7
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM261346
Similarity: 0.7471
Similarity to MM261346
| Tanimoto metric | 0.7471 |
|---|---|
| Cosine metric | 0.8571 |
| Dice metric | 0.8553 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.7 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM291381
Similarity: 0.7403
Similarity to MM291381
| Tanimoto metric | 0.7403 |
|---|---|
| Cosine metric | 0.8523 |
| Dice metric | 0.8507 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.84 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM291382
Similarity: 0.7215
Similarity to MM291382
| Tanimoto metric | 0.7215 |
|---|---|
| Cosine metric | 0.8391 |
| Dice metric | 0.8382 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+515 more
