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DocumentationIdentifier: MM92894
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM92894 |
| SMILES |
C=CCCNCC(C)N
|
| InChIKey |
NBLBHDJRRKOUKZ-UHFFFAOYSA-N
|
| MW [Da] |
128.22
Automatically obtained from RDkit software. |
| LogP |
0.5
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM287330
Similarity: 0.8438
Similarity to MM287330
| Tanimoto metric | 0.8438 |
|---|---|
| Cosine metric | 0.9186 |
| Dice metric | 0.9153 |
| MW: | 142.25 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.89 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM363324
Similarity: 0.8182
Similarity to MM363324
| Tanimoto metric | 0.8182 |
|---|---|
| Cosine metric | 0.9045 |
| Dice metric | 0.9 |
| MW: | 143.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.56 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM91125
Similarity: 0.8125
Similarity to MM91125
| Tanimoto metric | 0.8125 |
|---|---|
| Cosine metric | 0.8987 |
| Dice metric | 0.8966 |
| MW: | 128.22 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+798 more
