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DocumentationIdentifier: MM250731
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM250731 |
| SMILES |
C=C(C)CCC(F)CC#N
|
| InChIKey |
CHTUYVKPUXDMFW-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
MM317038
Similarity: 0.7788
Similarity to MM317038
| Tanimoto metric | 0.7788 |
|---|---|
| Cosine metric | 0.876 |
| Dice metric | 0.8757 |
| MW: | 141.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.59 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM144251
Similarity: 0.7556
Similarity to MM144251
| Tanimoto metric | 0.7556 |
|---|---|
| Cosine metric | 0.8692 |
| Dice metric | 0.8608 |
| MW: | 130.21 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 3.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM250729
Similarity: 0.6869
Similarity to MM250729
| Tanimoto metric | 0.6869 |
|---|---|
| Cosine metric | 0.8168 |
| Dice metric | 0.8144 |
| MW: | 142.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+619 more
