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DocumentationIdentifier: MM260365
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM260365 |
| SMILES |
CNC(=N)C#CCC(=N)N
|
| InChIKey |
YUMVSJKUEOQZFF-UHFFFAOYSA-N
|
| MW [Da] |
138.17
Automatically obtained from RDkit software. |
| LogP |
-0.49
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM170625
Similarity: 0.8523
Similarity to MM170625
| Tanimoto metric | 0.8523 |
|---|---|
| Cosine metric | 0.9232 |
| Dice metric | 0.9202 |
| MW: | 125.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.46 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM88699
Similarity: 0.8462
Similarity to MM88699
| Tanimoto metric | 0.8462 |
|---|---|
| Cosine metric | 0.9177 |
| Dice metric | 0.9167 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM133350
Similarity: 0.7386
Similarity to MM133350
| Tanimoto metric | 0.7386 |
|---|---|
| Cosine metric | 0.8594 |
| Dice metric | 0.8497 |
| MW: | 124.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.75 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+562 more
