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DocumentationIdentifier: MM384192
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM384192 |
| SMILES |
C#CC=C(C#N)C=CCC
|
| InChIKey |
KCTQPDBWHDMQGQ-UHFFFAOYSA-N
|
| MW [Da] |
131.18
Automatically obtained from RDkit software. |
| LogP |
2.04
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM179469
Similarity: 0.8454
Similarity to MM179469
| Tanimoto metric | 0.8454 |
|---|---|
| Cosine metric | 0.9194 |
| Dice metric | 0.9162 |
| MW: | 117.15 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.65 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM384218
Similarity: 0.7736
Similarity to MM384218
| Tanimoto metric | 0.7736 |
|---|---|
| Cosine metric | 0.8728 |
| Dice metric | 0.8723 |
| MW: | 127.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM201040
Similarity: 0.7423
Similarity to MM201040
| Tanimoto metric | 0.7423 |
|---|---|
| Cosine metric | 0.8615 |
| Dice metric | 0.8521 |
| MW: | 121.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+342 more
