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DocumentationIdentifier: MM383289
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM383289 |
| SMILES |
CC=CCC(C#N)=CCC
|
| InChIKey |
RIDPTXPLKKJNFX-UHFFFAOYSA-N
|
| MW [Da] |
135.21
Automatically obtained from RDkit software. |
| LogP |
2.81
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM200385
Similarity: 0.8276
Similarity to MM200385
| Tanimoto metric | 0.8276 |
|---|---|
| Cosine metric | 0.9097 |
| Dice metric | 0.9057 |
| MW: | 121.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM386302
Similarity: 0.8172
Similarity to MM386302
| Tanimoto metric | 0.8172 |
|---|---|
| Cosine metric | 0.8998 |
| Dice metric | 0.8994 |
| MW: | 133.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.59 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM420012
Similarity: 0.8172
Similarity to MM420012
| Tanimoto metric | 0.8172 |
|---|---|
| Cosine metric | 0.8998 |
| Dice metric | 0.8994 |
| MW: | 135.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.81 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+359 more
