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DocumentationIdentifier: MM195621
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM195621 |
| SMILES |
CC1NC1CC#CCN
|
| InChIKey |
XMAWPCQZCIHEQD-UHFFFAOYSA-N
|
| MW [Da] |
124.19
Automatically obtained from RDkit software. |
| LogP |
-0.3
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM420397
Similarity: 0.9554
Similarity to MM420397
| Tanimoto metric | 0.9554 |
|---|---|
| Cosine metric | 0.9774 |
| Dice metric | 0.9772 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM420390
Similarity: 0.8818
Similarity to MM420390
| Tanimoto metric | 0.8818 |
|---|---|
| Cosine metric | 0.9377 |
| Dice metric | 0.9372 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM447741
Similarity: 0.8699
Similarity to MM447741
| Tanimoto metric | 0.8699 |
|---|---|
| Cosine metric | 0.9327 |
| Dice metric | 0.9304 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+148 more
