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DocumentationIdentifier: MM386685
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM386685 |
| SMILES |
CCCC(C#N)CCCO
|
| InChIKey |
OUSNSLJWOLOICF-UHFFFAOYSA-N
|
| MW [Da] |
141.21
Automatically obtained from RDkit software. |
| LogP |
1.7
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM198786
Similarity: 0.9091
Similarity to MM198786
| Tanimoto metric | 0.9091 |
|---|---|
| Cosine metric | 0.9535 |
| Dice metric | 0.9524 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.31 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM314613
Similarity: 0.7632
Similarity to MM314613
| Tanimoto metric | 0.7632 |
|---|---|
| Cosine metric | 0.8658 |
| Dice metric | 0.8657 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.7 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM387114
Similarity: 0.75
Similarity to MM387114
| Tanimoto metric | 0.75 |
|---|---|
| Cosine metric | 0.8585 |
| Dice metric | 0.8571 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.81 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+403 more
