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DocumentationIdentifier: MM44980
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM44980 |
| SMILES |
CCNC(C#N)CCF
|
| InChIKey |
BJRLGWOKAISHFS-UHFFFAOYSA-N
|
| MW [Da] |
130.17
Automatically obtained from RDkit software. |
| LogP |
0.85
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM272085
Similarity: 0.8854
Similarity to MM272085
| Tanimoto metric | 0.8854 |
|---|---|
| Cosine metric | 0.941 |
| Dice metric | 0.9392 |
| MW: | 144.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.24 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM43425
Similarity: 0.8095
Similarity to MM43425
| Tanimoto metric | 0.8095 |
|---|---|
| Cosine metric | 0.8997 |
| Dice metric | 0.8947 |
| MW: | 142.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.01 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM434448
Similarity: 0.8095
Similarity to MM434448
| Tanimoto metric | 0.8095 |
|---|---|
| Cosine metric | 0.8997 |
| Dice metric | 0.8947 |
| MW: | 144.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+562 more
