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DocumentationIdentifier: MM177934
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM177934 |
| SMILES |
CCCC(C#N)CCO
|
| InChIKey |
IVOFWTAAPSPIJG-UHFFFAOYSA-N
|
| MW [Da] |
127.19
Automatically obtained from RDkit software. |
| LogP |
1.31
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: 0.7714
Similarity to MM198786
| Tanimoto metric | 0.7714 |
|---|---|
| Cosine metric | 0.8714 |
| Dice metric | 0.871 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.31 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM149740
Similarity: 0.7692
Similarity to MM149740
| Tanimoto metric | 0.7692 |
|---|---|
| Cosine metric | 0.8719 |
| Dice metric | 0.8696 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.31 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM376437
Similarity: 0.7619
Similarity to MM376437
| Tanimoto metric | 0.7619 |
|---|---|
| Cosine metric | 0.8729 |
| Dice metric | 0.8649 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.55 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+417 more
