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DocumentationIdentifier: MM447741
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM447741 |
| SMILES |
CCC1NC1CC#CCN
|
| InChIKey |
LBVAHXMYXYDGON-UHFFFAOYSA-N
|
| MW [Da] |
138.21
Automatically obtained from RDkit software. |
| LogP |
0.09
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM195621
Similarity: 0.8699
Similarity to MM195621
| Tanimoto metric | 0.8699 |
|---|---|
| Cosine metric | 0.9327 |
| Dice metric | 0.9304 |
| MW: | 124.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM420397
Similarity: 0.8359
Similarity to MM420397
| Tanimoto metric | 0.8359 |
|---|---|
| Cosine metric | 0.9116 |
| Dice metric | 0.9106 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM420390
Similarity: 0.7984
Similarity to MM420390
| Tanimoto metric | 0.7984 |
|---|---|
| Cosine metric | 0.8927 |
| Dice metric | 0.8879 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+156 more
