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DocumentationIdentifier: MM239710
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM239710 |
| SMILES |
CC(O)(C#N)CCCC=O
|
| InChIKey |
HMHSDMKBXGXHFU-UHFFFAOYSA-N
|
| MW [Da] |
141.17
Automatically obtained from RDkit software. |
| LogP |
0.63
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM138339
Similarity: 0.7959
Similarity to MM138339
| Tanimoto metric | 0.7959 |
|---|---|
| Cosine metric | 0.8921 |
| Dice metric | 0.8864 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.45 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM60626
Similarity: 0.7358
Similarity to MM60626
| Tanimoto metric | 0.7358 |
|---|---|
| Cosine metric | 0.8496 |
| Dice metric | 0.8478 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.95 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM227856
Similarity: 0.7358
Similarity to MM227856
| Tanimoto metric | 0.7358 |
|---|---|
| Cosine metric | 0.8496 |
| Dice metric | 0.8478 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.7 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+372 more
