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DocumentationIdentifier: MM235885
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM235885 |
| SMILES |
N=C(N)CC#CCC(=N)N
|
| InChIKey |
GBXUMIQNTQNLCC-UHFFFAOYSA-N
|
| MW [Da] |
138.17
Automatically obtained from RDkit software. |
| LogP |
-0.36
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM106172
Similarity: 0.9107
Similarity to MM106172
| Tanimoto metric | 0.9107 |
|---|---|
| Cosine metric | 0.9543 |
| Dice metric | 0.9533 |
| MW: | 110.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.73 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM153942
Similarity: 0.7846
Similarity to MM153942
| Tanimoto metric | 0.7846 |
|---|---|
| Cosine metric | 0.8798 |
| Dice metric | 0.8793 |
| MW: | 120.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM153917
Similarity: 0.7727
Similarity to MM153917
| Tanimoto metric | 0.7727 |
|---|---|
| Cosine metric | 0.8726 |
| Dice metric | 0.8718 |
| MW: | 124.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+194 more
