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DocumentationIdentifier: MM313041
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM313041 |
| SMILES |
C=CC(C#N)(C#N)NCC
|
| InChIKey |
FWRFZHHJGSCEBL-UHFFFAOYSA-N
|
| MW [Da] |
135.17
Automatically obtained from RDkit software. |
| LogP |
0.57
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM139541
Similarity: 0.8349
Similarity to MM139541
| Tanimoto metric | 0.8349 |
|---|---|
| Cosine metric | 0.9137 |
| Dice metric | 0.91 |
| MW: | 124.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM26716
Similarity: 0.8073
Similarity to MM26716
| Tanimoto metric | 0.8073 |
|---|---|
| Cosine metric | 0.8985 |
| Dice metric | 0.8934 |
| MW: | 121.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM309488
Similarity: 0.7583
Similarity to MM309488
| Tanimoto metric | 0.7583 |
|---|---|
| Cosine metric | 0.863 |
| Dice metric | 0.8626 |
| MW: | 136.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+135 more
