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DocumentationIdentifier: MM356599
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM356599 |
| SMILES |
C#CC=CN(C)C(=O)C#C
|
| InChIKey |
IINZIFCSBQAFJW-UHFFFAOYSA-N
|
| MW [Da] |
133.15
Automatically obtained from RDkit software. |
| LogP |
0.22
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM163345
Similarity: 0.7845
Similarity to MM163345
| Tanimoto metric | 0.7845 |
|---|---|
| Cosine metric | 0.8857 |
| Dice metric | 0.8792 |
| MW: | 123.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.61 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM86107
Similarity: 0.7407
Similarity to MM86107
| Tanimoto metric | 0.7407 |
|---|---|
| Cosine metric | 0.8511 |
| Dice metric | 0.8511 |
| MW: | 137.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.21 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM86077
Similarity: 0.7266
Similarity to MM86077
| Tanimoto metric | 0.7266 |
|---|---|
| Cosine metric | 0.8421 |
| Dice metric | 0.8417 |
| MW: | 139.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+183 more
