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DocumentationIdentifier: MM370701
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM370701 |
| SMILES |
CNC(=N)CCC#CCN
|
| InChIKey |
HUOWXEUQMISZCM-UHFFFAOYSA-N
|
| MW [Da] |
139.2
Automatically obtained from RDkit software. |
| LogP |
-0.07
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM167693
Similarity: 0.8929
Similarity to MM167693
| Tanimoto metric | 0.8929 |
|---|---|
| Cosine metric | 0.9449 |
| Dice metric | 0.9434 |
| MW: | 124.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.99 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM370699
Similarity: 0.8333
Similarity to MM370699
| Tanimoto metric | 0.8333 |
|---|---|
| Cosine metric | 0.9092 |
| Dice metric | 0.9091 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.38 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM370991
Similarity: 0.8085
Similarity to MM370991
| Tanimoto metric | 0.8085 |
|---|---|
| Cosine metric | 0.8942 |
| Dice metric | 0.8941 |
| MW: | 134.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.6 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+420 more
