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DocumentationIdentifier: MM60259
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM60259 |
| SMILES |
CCNCCC(C#N)CO
|
| InChIKey |
FGIHYJFTFFACSC-UHFFFAOYSA-N
|
| MW [Da] |
142.2
Automatically obtained from RDkit software. |
| LogP |
0.12
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM57352
Similarity: 0.8652
Similarity to MM57352
| Tanimoto metric | 0.8652 |
|---|---|
| Cosine metric | 0.9301 |
| Dice metric | 0.9277 |
| MW: | 128.18 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM232912
Similarity: 0.8018
Similarity to MM232912
| Tanimoto metric | 0.8018 |
|---|---|
| Cosine metric | 0.8954 |
| Dice metric | 0.89 |
| MW: | 140.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM403271
Similarity: 0.7264
Similarity to MM403271
| Tanimoto metric | 0.7264 |
|---|---|
| Cosine metric | 0.8418 |
| Dice metric | 0.8415 |
| MW: | 142.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.75 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+382 more
