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DocumentationIdentifier: MM307587
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM307587 |
| SMILES |
C=CC(C)=C(C)CNC=O
|
| InChIKey |
IHZODHDNVOCLIC-UHFFFAOYSA-N
|
| MW [Da] |
139.2
Automatically obtained from RDkit software. |
| LogP |
1.25
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM305650
Similarity: 0.7708
Similarity to MM305650
| Tanimoto metric | 0.7708 |
|---|---|
| Cosine metric | 0.878 |
| Dice metric | 0.8706 |
| MW: | 125.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.86 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM309647
Similarity: 0.7396
Similarity to MM309647
| Tanimoto metric | 0.7396 |
|---|---|
| Cosine metric | 0.86 |
| Dice metric | 0.8503 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM304001
Similarity: 0.6897
Similarity to MM304001
| Tanimoto metric | 0.6897 |
|---|---|
| Cosine metric | 0.8165 |
| Dice metric | 0.8163 |
| MW: | 137.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+329 more
