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DocumentationIdentifier: MM304995
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM304995 |
| SMILES |
C=CC(=O)NCC=CC
|
| InChIKey |
BVEIWERADPNWDS-UHFFFAOYSA-N
|
| MW [Da] |
125.17
Automatically obtained from RDkit software. |
| LogP |
0.86
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM304677
Similarity: 0.8356
Similarity to MM304677
| Tanimoto metric | 0.8356 |
|---|---|
| Cosine metric | 0.9109 |
| Dice metric | 0.9104 |
| MW: | 125.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.86 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM302888
Similarity: 0.8154
Similarity to MM302888
| Tanimoto metric | 0.8154 |
|---|---|
| Cosine metric | 0.903 |
| Dice metric | 0.8983 |
| MW: | 111.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.47 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM274454
Similarity: 0.8025
Similarity to MM274454
| Tanimoto metric | 0.8025 |
|---|---|
| Cosine metric | 0.8958 |
| Dice metric | 0.8904 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+489 more
