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DocumentationIdentifier: MM406100
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM406100 |
| SMILES |
C#CC=CCN(CC)CC
|
| InChIKey |
RAGDWQAVQCTBGT-UHFFFAOYSA-N
|
| MW [Da] |
137.23
Automatically obtained from RDkit software. |
| LogP |
1.52
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM168244
Similarity: 0.9355
Similarity to MM168244
| Tanimoto metric | 0.9355 |
|---|---|
| Cosine metric | 0.9672 |
| Dice metric | 0.9667 |
| MW: | 123.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM304076
Similarity: 0.7532
Similarity to MM304076
| Tanimoto metric | 0.7532 |
|---|---|
| Cosine metric | 0.8621 |
| Dice metric | 0.8593 |
| MW: | 137.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.52 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM279848
Similarity: 0.7436
Similarity to MM279848
| Tanimoto metric | 0.7436 |
|---|---|
| Cosine metric | 0.8563 |
| Dice metric | 0.8529 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+414 more
