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DocumentationIdentifier: MM375946
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM375946 |
| SMILES |
N=CNC(CN)C(N)CN
|
| InChIKey |
ILQUJNUJTJSPAO-UHFFFAOYSA-N
|
| MW [Da] |
145.21
Automatically obtained from RDkit software. |
| LogP |
-2.2
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM171962
Similarity: 0.8431
Similarity to MM171962
| Tanimoto metric | 0.8431 |
|---|---|
| Cosine metric | 0.9182 |
| Dice metric | 0.9149 |
| MW: | 130.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM386254
Similarity: 0.6552
Similarity to MM386254
| Tanimoto metric | 0.6552 |
|---|---|
| Cosine metric | 0.7932 |
| Dice metric | 0.7917 |
| MW: | 144.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.88 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM108117
Similarity: 0.598
Similarity to MM108117
| Tanimoto metric | 0.598 |
|---|---|
| Cosine metric | 0.7733 |
| Dice metric | 0.7485 |
| MW: | 115.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+294 more
