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DocumentationIdentifier: MM198575
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM198575 |
| SMILES |
NCC(CN)NCCF
|
| InChIKey |
LZKNHAQRQVMDBM-UHFFFAOYSA-N
|
| MW [Da] |
135.19
Automatically obtained from RDkit software. |
| LogP |
-1.17
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM112602
Similarity: 0.8596
Similarity to MM112602
| Tanimoto metric | 0.8596 |
|---|---|
| Cosine metric | 0.9272 |
| Dice metric | 0.9245 |
| MW: | 120.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM307875
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Similarity to MM307875
| Tanimoto metric | 0.7308 |
|---|---|
| Cosine metric | 0.8549 |
| Dice metric | 0.8444 |
| MW: | 149.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.78 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM115933
Similarity: 0.7193
Similarity to MM115933
| Tanimoto metric | 0.7193 |
|---|---|
| Cosine metric | 0.8481 |
| Dice metric | 0.8367 |
| MW: | 117.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -1.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+322 more
