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DocumentationIdentifier: MM304658
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM304658 |
| SMILES |
CCC=C(C=CF)CC=O
|
| InChIKey |
OBZGLBPZIQGMEM-UHFFFAOYSA-N
|
| MW [Da] |
142.17
Automatically obtained from RDkit software. |
| LogP |
2.4
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM178702
Similarity: 0.8095
Similarity to MM178702
| Tanimoto metric | 0.8095 |
|---|---|
| Cosine metric | 0.8997 |
| Dice metric | 0.8947 |
| MW: | 128.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM304716
Similarity: 0.7355
Similarity to MM304716
| Tanimoto metric | 0.7355 |
|---|---|
| Cosine metric | 0.8476 |
| Dice metric | 0.8476 |
| MW: | 140.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.17 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM306617
Similarity: 0.7073
Similarity to MM306617
| Tanimoto metric | 0.7073 |
|---|---|
| Cosine metric | 0.8286 |
| Dice metric | 0.8286 |
| MW: | 142.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.4 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+387 more
