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DocumentationIdentifier: MM374310
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM374310 |
| SMILES |
C#CC(=N)NC=CCNC
|
| InChIKey |
KDZWNLFPNCBUOE-UHFFFAOYSA-N
|
| MW [Da] |
137.19
Automatically obtained from RDkit software. |
| LogP |
-0.08
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM168881
Similarity: 0.9101
Similarity to MM168881
| Tanimoto metric | 0.9101 |
|---|---|
| Cosine metric | 0.954 |
| Dice metric | 0.9529 |
| MW: | 123.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM76309
Similarity: 0.7885
Similarity to MM76309
| Tanimoto metric | 0.7885 |
|---|---|
| Cosine metric | 0.8825 |
| Dice metric | 0.8817 |
| MW: | 137.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM84453
Similarity: 0.7528
Similarity to MM84453
| Tanimoto metric | 0.7528 |
|---|---|
| Cosine metric | 0.8676 |
| Dice metric | 0.859 |
| MW: | 108.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.72 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+247 more
