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DocumentationIdentifier: MM94777
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM94777 |
| SMILES |
CC(N)C(C)C(C)N
|
| InChIKey |
DSVIPKXYBRMZSW-UHFFFAOYSA-N
|
| MW [Da] |
116.21
Automatically obtained from RDkit software. |
| LogP |
0.32
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM94661
Similarity: 0.8276
Similarity to MM94661
| Tanimoto metric | 0.8276 |
|---|---|
| Cosine metric | 0.9097 |
| Dice metric | 0.9057 |
| MW: | 130.24 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.71 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM116918
Similarity: 0.8148
Similarity to MM116918
| Tanimoto metric | 0.8148 |
|---|---|
| Cosine metric | 0.8981 |
| Dice metric | 0.898 |
| MW: | 116.21 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.32 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM308044
Similarity: 0.7742
Similarity to MM308044
| Tanimoto metric | 0.7742 |
|---|---|
| Cosine metric | 0.8799 |
| Dice metric | 0.8727 |
| MW: | 145.25 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+420 more
