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DocumentationIdentifier: MM61325
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM61325 |
| SMILES |
CN=CNCC#N
|
| InChIKey |
RHIWZFQPOXQZDN-UHFFFAOYSA-N
|
| MW [Da] |
97.12
Automatically obtained from RDkit software. |
| LogP |
-0.24
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM57994
Similarity: 0.8222
Similarity to MM57994
| Tanimoto metric | 0.8222 |
|---|---|
| Cosine metric | 0.9068 |
| Dice metric | 0.9024 |
| MW: | 111.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM74772
Similarity: 0.7568
Similarity to MM74772
| Tanimoto metric | 0.7568 |
|---|---|
| Cosine metric | 0.8699 |
| Dice metric | 0.8615 |
| MW: | 83.09 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM57997
Similarity: 0.74
Similarity to MM57997
| Tanimoto metric | 0.74 |
|---|---|
| Cosine metric | 0.8602 |
| Dice metric | 0.8506 |
| MW: | 109.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+72 more
