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DocumentationIdentifier: MM370353
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM370353 |
| SMILES |
C=CC#CCOC(C)CF
|
| InChIKey |
RDTSYPVQUWOXOE-UHFFFAOYSA-N
|
| MW [Da] |
142.17
Automatically obtained from RDkit software. |
| LogP |
1.55
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM167660
Similarity: 0.8333
Similarity to MM167660
| Tanimoto metric | 0.8333 |
|---|---|
| Cosine metric | 0.9129 |
| Dice metric | 0.9091 |
| MW: | 130.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.38 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM370258
Similarity: 0.7647
Similarity to MM370258
| Tanimoto metric | 0.7647 |
|---|---|
| Cosine metric | 0.8674 |
| Dice metric | 0.8667 |
| MW: | 148.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM370403
Similarity: 0.7386
Similarity to MM370403
| Tanimoto metric | 0.7386 |
|---|---|
| Cosine metric | 0.8498 |
| Dice metric | 0.8497 |
| MW: | 140.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+510 more
