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DocumentationIdentifier: MM431527
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM431527 |
| SMILES |
CCCC#CC(CC)NC
|
| InChIKey |
VPHFDVCCUXDNRT-UHFFFAOYSA-N
|
| MW [Da] |
139.24
Automatically obtained from RDkit software. |
| LogP |
1.79
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM201176
Similarity: 0.9136
Similarity to MM201176
| Tanimoto metric | 0.9136 |
|---|---|
| Cosine metric | 0.9558 |
| Dice metric | 0.9548 |
| MW: | 125.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.4 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM431877
Similarity: 0.7872
Similarity to MM431877
| Tanimoto metric | 0.7872 |
|---|---|
| Cosine metric | 0.8815 |
| Dice metric | 0.881 |
| MW: | 135.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.01 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM65699
Similarity: 0.7778
Similarity to MM65699
| Tanimoto metric | 0.7778 |
|---|---|
| Cosine metric | 0.8819 |
| Dice metric | 0.875 |
| MW: | 111.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.01 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+700 more
