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DocumentationIdentifier: MM302114
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM302114 |
| SMILES |
CNCCNC(=N)C(C)F
|
| InChIKey |
QWNJMORIXWXBKT-UHFFFAOYSA-N
|
| MW [Da] |
147.2
Automatically obtained from RDkit software. |
| LogP |
0.13
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM55081
Similarity: 0.7239
Similarity to MM55081
| Tanimoto metric | 0.7239 |
|---|---|
| Cosine metric | 0.8416 |
| Dice metric | 0.8398 |
| MW: | 147.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM108356
Similarity: 0.7222
Similarity to MM108356
| Tanimoto metric | 0.7222 |
|---|---|
| Cosine metric | 0.8498 |
| Dice metric | 0.8387 |
| MW: | 118.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.93 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM302098
Similarity: 0.6212
Similarity to MM302098
| Tanimoto metric | 0.6212 |
|---|---|
| Cosine metric | 0.7664 |
| Dice metric | 0.7664 |
| MW: | 147.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+317 more
