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DocumentationIdentifier: MM326682
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM326682 |
| SMILES |
C=CC(CC(C)CC)NC
|
| InChIKey |
DVZAJWKIMWJXSY-UHFFFAOYSA-N
|
| MW [Da] |
141.26
Automatically obtained from RDkit software. |
| LogP |
2.2
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM149755
Similarity: 0.7525
Similarity to MM149755
| Tanimoto metric | 0.7525 |
|---|---|
| Cosine metric | 0.8675 |
| Dice metric | 0.8588 |
| MW: | 127.23 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.81 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM198812
Similarity: 0.7327
Similarity to MM198812
| Tanimoto metric | 0.7327 |
|---|---|
| Cosine metric | 0.856 |
| Dice metric | 0.8457 |
| MW: | 127.23 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.95 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM339929
Similarity: 0.7207
Similarity to MM339929
| Tanimoto metric | 0.7207 |
|---|---|
| Cosine metric | 0.8391 |
| Dice metric | 0.8377 |
| MW: | 141.26 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+642 more
