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DocumentationIdentifier: MM292145
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM292145 |
| SMILES |
N#CCC(=N)NCCCO
|
| InChIKey |
AZVHKFDRIMFPJH-UHFFFAOYSA-N
|
| MW [Da] |
141.17
Automatically obtained from RDkit software. |
| LogP |
-0.15
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM69110
Similarity: 0.7872
Similarity to MM69110
| Tanimoto metric | 0.7872 |
|---|---|
| Cosine metric | 0.884 |
| Dice metric | 0.881 |
| MW: | 136.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.38 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM166442
Similarity: 0.7582
Similarity to MM166442
| Tanimoto metric | 0.7582 |
|---|---|
| Cosine metric | 0.8708 |
| Dice metric | 0.8625 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM81671
Similarity: 0.7033
Similarity to MM81671
| Tanimoto metric | 0.7033 |
|---|---|
| Cosine metric | 0.8386 |
| Dice metric | 0.8258 |
| MW: | 111.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+413 more
