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DocumentationIdentifier: MM144234
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM144234 |
| SMILES |
N=C(N)CCC(N)CN
|
| InChIKey |
AJWSTCKVAOPHLW-UHFFFAOYSA-N
|
| MW [Da] |
130.2
Automatically obtained from RDkit software. |
| LogP |
-1.01
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM162132
Similarity: 0.7333
Similarity to MM162132
| Tanimoto metric | 0.7333 |
|---|---|
| Cosine metric | 0.8473 |
| Dice metric | 0.8462 |
| MW: | 130.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.01 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM340428
Similarity: 0.7115
Similarity to MM340428
| Tanimoto metric | 0.7115 |
|---|---|
| Cosine metric | 0.8435 |
| Dice metric | 0.8315 |
| MW: | 144.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.75 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM245168
Similarity: 0.6981
Similarity to MM245168
| Tanimoto metric | 0.6981 |
|---|---|
| Cosine metric | 0.8355 |
| Dice metric | 0.8222 |
| MW: | 145.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -2.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+380 more
