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DocumentationIdentifier: MM265018
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM265018 |
| SMILES |
CC=C(F)CN(C)CC#N
|
| InChIKey |
OXCFPBZHOZROQI-UHFFFAOYSA-N
|
| MW [Da] |
142.18
Automatically obtained from RDkit software. |
| LogP |
1.32
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
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MM167859
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Similarity to MM167859
| Tanimoto metric | 0.7143 |
|---|---|
| Cosine metric | 0.8452 |
| Dice metric | 0.8333 |
| MW: | 128.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.97 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM265526
Similarity: 0.6992
Similarity to MM265526
| Tanimoto metric | 0.6992 |
|---|---|
| Cosine metric | 0.823 |
| Dice metric | 0.823 |
| MW: | 142.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.32 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM265020
Similarity: 0.6589
Similarity to MM265020
| Tanimoto metric | 0.6589 |
|---|---|
| Cosine metric | 0.7945 |
| Dice metric | 0.7944 |
| MW: | 146.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.22 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+107 more
