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DocumentationIdentifier: MM251583
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM251583 |
| SMILES |
C=C(C=CC)CCC(=N)N
|
| InChIKey |
KSYGMFQFUIHKEH-UHFFFAOYSA-N
|
| MW [Da] |
138.21
Automatically obtained from RDkit software. |
| LogP |
1.83
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM145085
Similarity: 0.8182
Similarity to MM145085
| Tanimoto metric | 0.8182 |
|---|---|
| Cosine metric | 0.9045 |
| Dice metric | 0.9 |
| MW: | 124.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.44 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM319388
Similarity: 0.664
Similarity to MM319388
| Tanimoto metric | 0.664 |
|---|---|
| Cosine metric | 0.799 |
| Dice metric | 0.7981 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.71 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM251584
Similarity: 0.6585
Similarity to MM251584
| Tanimoto metric | 0.6585 |
|---|---|
| Cosine metric | 0.7945 |
| Dice metric | 0.7941 |
| MW: | 142.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.74 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+560 more
