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DocumentationIdentifier: MM308616
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM308616 |
| SMILES |
CCC(C)(C#N)CCC#N
|
| InChIKey |
YQFHHHCYPOFWKT-UHFFFAOYSA-N
|
| MW [Da] |
136.2
Automatically obtained from RDkit software. |
| LogP |
2.23
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM139323
Similarity: 0.8286
Similarity to MM139323
| Tanimoto metric | 0.8286 |
|---|---|
| Cosine metric | 0.9103 |
| Dice metric | 0.9063 |
| MW: | 125.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.73 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM308310
Similarity: 0.7949
Similarity to MM308310
| Tanimoto metric | 0.7949 |
|---|---|
| Cosine metric | 0.8857 |
| Dice metric | 0.8857 |
| MW: | 139.24 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 3.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM229011
Similarity: 0.7595
Similarity to MM229011
| Tanimoto metric | 0.7595 |
|---|---|
| Cosine metric | 0.8633 |
| Dice metric | 0.8633 |
| MW: | 139.24 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.97 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+275 more
