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DocumentationIdentifier: MM81532
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM81532 |
| SMILES |
C=C(C)C(=C)C(N)CCN
|
| InChIKey |
AKQIJUOZKKYNNQ-UHFFFAOYSA-N
|
| MW [Da] |
140.23
Automatically obtained from RDkit software. |
| LogP |
0.79
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM160967
Similarity: 0.8049
Similarity to MM160967
| Tanimoto metric | 0.8049 |
|---|---|
| Cosine metric | 0.8971 |
| Dice metric | 0.8919 |
| MW: | 125.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.86 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM82419
Similarity: 0.7737
Similarity to MM82419
| Tanimoto metric | 0.7737 |
|---|---|
| Cosine metric | 0.8725 |
| Dice metric | 0.8724 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.79 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM351775
Similarity: 0.7194
Similarity to MM351775
| Tanimoto metric | 0.7194 |
|---|---|
| Cosine metric | 0.8372 |
| Dice metric | 0.8368 |
| MW: | 139.24 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.25 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+371 more
