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DocumentationIdentifier: MM279676
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM279676 |
| SMILES |
CC#CC(=N)NCC=CC
|
| InChIKey |
QWGNBGOBRXCNMT-UHFFFAOYSA-N
|
| MW [Da] |
136.2
Automatically obtained from RDkit software. |
| LogP |
1.15
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM78328
Similarity: 0.871
Similarity to MM78328
| Tanimoto metric | 0.871 |
|---|---|
| Cosine metric | 0.9333 |
| Dice metric | 0.931 |
| MW: | 122.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.76 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM370046
Similarity: 0.7426
Similarity to MM370046
| Tanimoto metric | 0.7426 |
|---|---|
| Cosine metric | 0.8537 |
| Dice metric | 0.8523 |
| MW: | 137.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM370149
Similarity: 0.7282
Similarity to MM370149
| Tanimoto metric | 0.7282 |
|---|---|
| Cosine metric | 0.8435 |
| Dice metric | 0.8427 |
| MW: | 132.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.38 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+482 more
