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DocumentationIdentifier: MM261751
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM261751 |
| SMILES |
C#CC(N)CC(O)CCC
|
| InChIKey |
UHWCTODPGYOAON-UHFFFAOYSA-N
|
| MW [Da] |
141.21
Automatically obtained from RDkit software. |
| LogP |
0.5
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM261752
Similarity: 0.8598
Similarity to MM261752
| Tanimoto metric | 0.8598 |
|---|---|
| Cosine metric | 0.9246 |
| Dice metric | 0.9246 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.95 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM261817
Similarity: 0.8018
Similarity to MM261817
| Tanimoto metric | 0.8018 |
|---|---|
| Cosine metric | 0.89 |
| Dice metric | 0.89 |
| MW: | 137.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM264626
Similarity: 0.7154
Similarity to MM264626
| Tanimoto metric | 0.7154 |
|---|---|
| Cosine metric | 0.8357 |
| Dice metric | 0.8341 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+542 more
