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DocumentationIdentifier: MM239688
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM239688 |
| SMILES |
CC(C)(C#N)NCCCF
|
| InChIKey |
RUFXFEVVJAUCSV-UHFFFAOYSA-N
|
| MW [Da] |
144.19
Automatically obtained from RDkit software. |
| LogP |
1.24
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM138383
Similarity: 0.8049
Similarity to MM138383
| Tanimoto metric | 0.8049 |
|---|---|
| Cosine metric | 0.8971 |
| Dice metric | 0.8919 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM239802
Similarity: 0.7333
Similarity to MM239802
| Tanimoto metric | 0.7333 |
|---|---|
| Cosine metric | 0.8473 |
| Dice metric | 0.8462 |
| MW: | 137.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.79 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM227884
Similarity: 0.7253
Similarity to MM227884
| Tanimoto metric | 0.7253 |
|---|---|
| Cosine metric | 0.8416 |
| Dice metric | 0.8408 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.53 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+516 more
