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DocumentationIdentifier: MM380415
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM380415 |
| SMILES |
CC=C(C)C(C#N)CCF
|
| InChIKey |
KKNUKTOHFGJDMW-UHFFFAOYSA-N
|
| MW [Da] |
141.19
Automatically obtained from RDkit software. |
| LogP |
2.45
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM52276
Similarity: 0.7302
Similarity to MM52276
| Tanimoto metric | 0.7302 |
|---|---|
| Cosine metric | 0.8545 |
| Dice metric | 0.844 |
| MW: | 127.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 2.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM197605
Similarity: 0.7222
Similarity to MM197605
| Tanimoto metric | 0.7222 |
|---|---|
| Cosine metric | 0.8498 |
| Dice metric | 0.8387 |
| MW: | 123.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM420218
Similarity: 0.6364
Similarity to MM420218
| Tanimoto metric | 0.6364 |
|---|---|
| Cosine metric | 0.7801 |
| Dice metric | 0.7778 |
| MW: | 137.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.89 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+233 more
