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DocumentationIdentifier: MM452244
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM452244 |
| SMILES |
CC=NOCC=CCCC
|
| InChIKey |
UCPTUDKDJVXCRF-UHFFFAOYSA-N
|
| MW [Da] |
141.21
Automatically obtained from RDkit software. |
| LogP |
2.37
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM213996
Similarity: 0.8714
Similarity to MM213996
| Tanimoto metric | 0.8714 |
|---|---|
| Cosine metric | 0.9335 |
| Dice metric | 0.9313 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.97 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM214936
Similarity: 0.8286
Similarity to MM214936
| Tanimoto metric | 0.8286 |
|---|---|
| Cosine metric | 0.9103 |
| Dice metric | 0.9063 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.97 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM450327
Similarity: 0.7821
Similarity to MM450327
| Tanimoto metric | 0.7821 |
|---|---|
| Cosine metric | 0.8777 |
| Dice metric | 0.8777 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+484 more
