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DocumentationIdentifier: MM370472
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM370472 |
| SMILES |
CN(C=N)CCC#CCN
|
| InChIKey |
VVDQXUJKNRLXAL-UHFFFAOYSA-N
|
| MW [Da] |
139.2
Automatically obtained from RDkit software. |
| LogP |
-0.12
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM167676
Similarity: 0.8904
Similarity to MM167676
| Tanimoto metric | 0.8904 |
|---|---|
| Cosine metric | 0.9436 |
| Dice metric | 0.942 |
| MW: | 124.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.94 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM370470
Similarity: 0.8333
Similarity to MM370470
| Tanimoto metric | 0.8333 |
|---|---|
| Cosine metric | 0.9093 |
| Dice metric | 0.9091 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM370601
Similarity: 0.8049
Similarity to MM370601
| Tanimoto metric | 0.8049 |
|---|---|
| Cosine metric | 0.892 |
| Dice metric | 0.8919 |
| MW: | 134.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.55 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+171 more
