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DocumentationIdentifier: MM365008
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM365008 |
| SMILES |
C=CCNCCC(=C)CN
|
| InChIKey |
HYVBNBNWCHKXIP-UHFFFAOYSA-N
|
| MW [Da] |
140.23
Automatically obtained from RDkit software. |
| LogP |
0.67
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM88960
Similarity: 0.8933
Similarity to MM88960
| Tanimoto metric | 0.8933 |
|---|---|
| Cosine metric | 0.944 |
| Dice metric | 0.9437 |
| MW: | 142.25 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.89 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM87748
Similarity: 0.8904
Similarity to MM87748
| Tanimoto metric | 0.8904 |
|---|---|
| Cosine metric | 0.9436 |
| Dice metric | 0.942 |
| MW: | 128.22 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM88023
Similarity: 0.8481
Similarity to MM88023
| Tanimoto metric | 0.8481 |
|---|---|
| Cosine metric | 0.9178 |
| Dice metric | 0.9178 |
| MW: | 142.25 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.76 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+582 more
