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DocumentationIdentifier: MM371313
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM371313 |
| SMILES |
CC=C(C)CCNCCC
|
| InChIKey |
AKQSTWZFFWRWSI-UHFFFAOYSA-N
|
| MW [Da] |
141.26
Automatically obtained from RDkit software. |
| LogP |
2.34
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM167758
Similarity: 0.9437
Similarity to MM167758
| Tanimoto metric | 0.9437 |
|---|---|
| Cosine metric | 0.9714 |
| Dice metric | 0.971 |
| MW: | 127.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.95 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM371480
Similarity: 0.8734
Similarity to MM371480
| Tanimoto metric | 0.8734 |
|---|---|
| Cosine metric | 0.9332 |
| Dice metric | 0.9324 |
| MW: | 139.24 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM258748
Similarity: 0.8272
Similarity to MM258748
| Tanimoto metric | 0.8272 |
|---|---|
| Cosine metric | 0.9062 |
| Dice metric | 0.9054 |
| MW: | 141.26 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+604 more
