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DocumentationIdentifier: MM370470
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM370470 |
| SMILES |
CCC#CCCN(C)C=N
|
| InChIKey |
JSDIOGLXEKMGRZ-UHFFFAOYSA-N
|
| MW [Da] |
138.21
Automatically obtained from RDkit software. |
| LogP |
1.33
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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MM167676
Similarity: 0.9286
Similarity to MM167676
| Tanimoto metric | 0.9286 |
|---|---|
| Cosine metric | 0.9636 |
| Dice metric | 0.963 |
| MW: | 124.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.94 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM370472
Similarity: 0.8333
Similarity to MM370472
| Tanimoto metric | 0.8333 |
|---|---|
| Cosine metric | 0.9093 |
| Dice metric | 0.9091 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM370601
Similarity: 0.8125
Similarity to MM370601
| Tanimoto metric | 0.8125 |
|---|---|
| Cosine metric | 0.8971 |
| Dice metric | 0.8966 |
| MW: | 134.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.55 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+298 more
