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DocumentationIdentifier: MM310010
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM310010 |
| SMILES |
CC=CCC(F)(C#N)CC
|
| InChIKey |
PFNRCJBQZDSUTQ-UHFFFAOYSA-N
|
| MW [Da] |
141.19
Automatically obtained from RDkit software. |
| LogP |
2.59
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM138630
Similarity: 0.7759
Similarity to MM138630
| Tanimoto metric | 0.7759 |
|---|---|
| Cosine metric | 0.8808 |
| Dice metric | 0.8738 |
| MW: | 127.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM139407
Similarity: 0.7759
Similarity to MM139407
| Tanimoto metric | 0.7759 |
|---|---|
| Cosine metric | 0.8808 |
| Dice metric | 0.8738 |
| MW: | 127.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM240487
Similarity: 0.6977
Similarity to MM240487
| Tanimoto metric | 0.6977 |
|---|---|
| Cosine metric | 0.8234 |
| Dice metric | 0.8219 |
| MW: | 145.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+354 more
