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DocumentationIdentifier: MM420641
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM420641 |
| SMILES |
C=CC=CCC(C=O)=CN
|
| InChIKey |
KKQPBFRBPIWOIY-UHFFFAOYSA-N
|
| MW [Da] |
137.18
Automatically obtained from RDkit software. |
| LogP |
1.16
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM420042
Similarity: 0.81
Similarity to MM420042
| Tanimoto metric | 0.81 |
|---|---|
| Cosine metric | 0.8954 |
| Dice metric | 0.895 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.38 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM346339
Similarity: 0.7383
Similarity to MM346339
| Tanimoto metric | 0.7383 |
|---|---|
| Cosine metric | 0.8495 |
| Dice metric | 0.8495 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.38 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM420054
Similarity: 0.7117
Similarity to MM420054
| Tanimoto metric | 0.7117 |
|---|---|
| Cosine metric | 0.8318 |
| Dice metric | 0.8316 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+207 more
