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DocumentationIdentifier: MM262236
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM262236 |
| SMILES |
N#CC(C#N)NCCCF
|
| InChIKey |
JAQOIQBGEHMUIP-UHFFFAOYSA-N
|
| MW [Da] |
141.15
Automatically obtained from RDkit software. |
| LogP |
0.35
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM239688
Similarity: 0.7222
Similarity to MM239688
| Tanimoto metric | 0.7222 |
|---|---|
| Cosine metric | 0.8401 |
| Dice metric | 0.8387 |
| MW: | 144.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.24 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM404344
Similarity: 0.7037
Similarity to MM404344
| Tanimoto metric | 0.7037 |
|---|---|
| Cosine metric | 0.8275 |
| Dice metric | 0.8261 |
| MW: | 134.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM40776
Similarity: 0.6875
Similarity to MM40776
| Tanimoto metric | 0.6875 |
|---|---|
| Cosine metric | 0.8188 |
| Dice metric | 0.8148 |
| MW: | 148.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.8 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+203 more
