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DocumentationIdentifier: MM301003
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM301003 |
| SMILES |
CC(N)C(C)COCCO
|
| InChIKey |
WIYZWLRVQZQSSK-UHFFFAOYSA-N
|
| MW [Da] |
147.22
Automatically obtained from RDkit software. |
| LogP |
-0.02
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM161978
Similarity: 0.8495
Similarity to MM161978
| Tanimoto metric | 0.8495 |
|---|---|
| Cosine metric | 0.9217 |
| Dice metric | 0.9186 |
| MW: | 131.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.01 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM301001
Similarity: 0.798
Similarity to MM301001
| Tanimoto metric | 0.798 |
|---|---|
| Cosine metric | 0.8885 |
| Dice metric | 0.8876 |
| MW: | 145.25 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.4 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM392269
Similarity: 0.7387
Similarity to MM392269
| Tanimoto metric | 0.7387 |
|---|---|
| Cosine metric | 0.8503 |
| Dice metric | 0.8497 |
| MW: | 147.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.02 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+391 more
