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DocumentationIdentifier: MM53323
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM53323 |
| SMILES |
C#CC(C#N)C(F)CO
|
| InChIKey |
IAVRTIPVEZLEOO-UHFFFAOYSA-N
|
| MW [Da] |
127.12
Automatically obtained from RDkit software. |
| LogP |
0.09
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM76736
Similarity: 0.7448
Similarity to MM76736
| Tanimoto metric | 0.7448 |
|---|---|
| Cosine metric | 0.863 |
| Dice metric | 0.8538 |
| MW: | 141.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.48 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM15414
Similarity: 0.6759
Similarity to MM15414
| Tanimoto metric | 0.6759 |
|---|---|
| Cosine metric | 0.8221 |
| Dice metric | 0.8066 |
| MW: | 111.12 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM111634
Similarity: 0.6389
Similarity to MM111634
| Tanimoto metric | 0.6389 |
|---|---|
| Cosine metric | 0.7993 |
| Dice metric | 0.7797 |
| MW: | 116.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.59 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+352 more
