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DocumentationIdentifier: MM243148
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM243148 |
| SMILES |
N#CCC(O)(C#N)CCO
|
| InChIKey |
HSHOFRVJWKQAAB-UHFFFAOYSA-N
|
| MW [Da] |
140.14
Automatically obtained from RDkit software. |
| LogP |
-0.46
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM139344
Similarity: 0.7328
Similarity to MM139344
| Tanimoto metric | 0.7328 |
|---|---|
| Cosine metric | 0.856 |
| Dice metric | 0.8458 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM42249
Similarity: 0.7069
Similarity to MM42249
| Tanimoto metric | 0.7069 |
|---|---|
| Cosine metric | 0.8408 |
| Dice metric | 0.8283 |
| MW: | 124.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.56 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM243118
Similarity: 0.6815
Similarity to MM243118
| Tanimoto metric | 0.6815 |
|---|---|
| Cosine metric | 0.8108 |
| Dice metric | 0.8106 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+210 more
