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DocumentationIdentifier: MM199270
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM199270 |
| SMILES |
N#CCNC(C#N)C#N
|
| InChIKey |
ZYHLPNBBFZSZKW-UHFFFAOYSA-N
|
| MW [Da] |
120.12
Automatically obtained from RDkit software. |
| LogP |
-0.48
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM79838
Similarity: 0.9273
Similarity to MM79838
| Tanimoto metric | 0.9273 |
|---|---|
| Cosine metric | 0.963 |
| Dice metric | 0.9623 |
| MW: | 134.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM259806
Similarity: 0.8545
Similarity to MM259806
| Tanimoto metric | 0.8545 |
|---|---|
| Cosine metric | 0.9216 |
| Dice metric | 0.9216 |
| MW: | 123.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.4 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM112893
Similarity: 0.8431
Similarity to MM112893
| Tanimoto metric | 0.8431 |
|---|---|
| Cosine metric | 0.9182 |
| Dice metric | 0.9149 |
| MW: | 109.13 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.01 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+38 more
