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DocumentationIdentifier: MM384051
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM384051 |
| SMILES |
C=CC=CC(C#N)=CCC
|
| InChIKey |
MYJCJSQDCBFPCC-UHFFFAOYSA-N
|
| MW [Da] |
133.19
Automatically obtained from RDkit software. |
| LogP |
2.59
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM201080
Similarity: 0.8471
Similarity to MM201080
| Tanimoto metric | 0.8471 |
|---|---|
| Cosine metric | 0.9204 |
| Dice metric | 0.9172 |
| MW: | 119.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM430882
Similarity: 0.8222
Similarity to MM430882
| Tanimoto metric | 0.8222 |
|---|---|
| Cosine metric | 0.903 |
| Dice metric | 0.9024 |
| MW: | 133.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.59 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM387372
Similarity: 0.7979
Similarity to MM387372
| Tanimoto metric | 0.7979 |
|---|---|
| Cosine metric | 0.8876 |
| Dice metric | 0.8876 |
| MW: | 133.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.59 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+201 more
