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DocumentationIdentifier: MM261513
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM261513 |
| SMILES |
N#CC(O)CC(O)CCO
|
| InChIKey |
DBWNGFPVOMZWRU-UHFFFAOYSA-N
|
| MW [Da] |
145.16
Automatically obtained from RDkit software. |
| LogP |
-1
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM261634
Similarity: 0.7419
Similarity to MM261634
| Tanimoto metric | 0.7419 |
|---|---|
| Cosine metric | 0.8519 |
| Dice metric | 0.8519 |
| MW: | 140.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.46 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM244766
Similarity: 0.6699
Similarity to MM244766
| Tanimoto metric | 0.6699 |
|---|---|
| Cosine metric | 0.8037 |
| Dice metric | 0.8023 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM63817
Similarity: 0.6552
Similarity to MM63817
| Tanimoto metric | 0.6552 |
|---|---|
| Cosine metric | 0.7979 |
| Dice metric | 0.7917 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+403 more
