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DocumentationIdentifier: MM267602
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM267602 |
| SMILES |
C#CC(C)N=C(C)NC=C
|
| InChIKey |
IENNIYJFTABOTK-UHFFFAOYSA-N
|
| MW [Da] |
136.2
Automatically obtained from RDkit software. |
| LogP |
1.16
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM136424
Similarity: 0.7105
Similarity to MM136424
| Tanimoto metric | 0.7105 |
|---|---|
| Cosine metric | 0.8429 |
| Dice metric | 0.8308 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.55 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM247895
Similarity: 0.6842
Similarity to MM247895
| Tanimoto metric | 0.6842 |
|---|---|
| Cosine metric | 0.8126 |
| Dice metric | 0.8125 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.99 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM285001
Similarity: 0.6484
Similarity to MM285001
| Tanimoto metric | 0.6484 |
|---|---|
| Cosine metric | 0.7893 |
| Dice metric | 0.7867 |
| MW: | 136.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+164 more
