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DocumentationIdentifier: MM292629
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM292629 |
| SMILES |
CCCC(C)C(C)CC#N
|
| InChIKey |
HIQCEKFISGWZPD-UHFFFAOYSA-N
|
| MW [Da] |
139.24
Automatically obtained from RDkit software. |
| LogP |
2.97
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM362030
Similarity: 0.8667
Similarity to MM362030
| Tanimoto metric | 0.8667 |
|---|---|
| Cosine metric | 0.9292 |
| Dice metric | 0.9286 |
| MW: | 139.24 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.97 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM171909
Similarity: 0.8276
Similarity to MM171909
| Tanimoto metric | 0.8276 |
|---|---|
| Cosine metric | 0.9097 |
| Dice metric | 0.9057 |
| MW: | 125.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.58 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM71704
Similarity: 0.8
Similarity to MM71704
| Tanimoto metric | 0.8 |
|---|---|
| Cosine metric | 0.8913 |
| Dice metric | 0.8889 |
| MW: | 136.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 2.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+289 more
