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DocumentationIdentifier: MM293779
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM293779 |
| SMILES |
C#CCN(C)C(=O)CC#N
|
| InChIKey |
RHEFZHIHKOYHOH-UHFFFAOYSA-N
|
| MW [Da] |
136.15
Automatically obtained from RDkit software. |
| LogP |
-0.01
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
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MM50296
Similarity: 0.7603
Similarity to MM50296
| Tanimoto metric | 0.7603 |
|---|---|
| Cosine metric | 0.872 |
| Dice metric | 0.8638 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.38 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM156620
Similarity: 0.6942
Similarity to MM156620
| Tanimoto metric | 0.6942 |
|---|---|
| Cosine metric | 0.8332 |
| Dice metric | 0.8195 |
| MW: | 122.13 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM293809
Similarity: 0.6812
Similarity to MM293809
| Tanimoto metric | 0.6812 |
|---|---|
| Cosine metric | 0.8111 |
| Dice metric | 0.8103 |
| MW: | 135.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+93 more
