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DocumentationIdentifier: MM317275
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM317275 |
| SMILES |
C#CC(=N)NCC(C)CN
|
| InChIKey |
ULSMYRIXDRUDQV-UHFFFAOYSA-N
|
| MW [Da] |
139.2
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
MM144781
Similarity: 0.8085
Similarity to MM144781
| Tanimoto metric | 0.8085 |
|---|---|
| Cosine metric | 0.8992 |
| Dice metric | 0.8941 |
| MW: | 124.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.84 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM167046
Similarity: 0.7766
Similarity to MM167046
| Tanimoto metric | 0.7766 |
|---|---|
| Cosine metric | 0.8812 |
| Dice metric | 0.8743 |
| MW: | 125.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.46 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM224982
Similarity: 0.7308
Similarity to MM224982
| Tanimoto metric | 0.7308 |
|---|---|
| Cosine metric | 0.8453 |
| Dice metric | 0.8444 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+477 more
