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DocumentationIdentifier: MM420054
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM420054 |
| SMILES |
NC=C(C=O)CC=CCO
|
| InChIKey |
UMRAQFNXYDOQTF-UHFFFAOYSA-N
|
| MW [Da] |
141.17
Automatically obtained from RDkit software. |
| LogP |
-0.03
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM420042
Similarity: 0.7453
Similarity to MM420042
| Tanimoto metric | 0.7453 |
|---|---|
| Cosine metric | 0.8551 |
| Dice metric | 0.8541 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.38 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM420641
Similarity: 0.7117
Similarity to MM420641
| Tanimoto metric | 0.7117 |
|---|---|
| Cosine metric | 0.8318 |
| Dice metric | 0.8316 |
| MW: | 137.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM346339
Similarity: 0.7117
Similarity to MM346339
| Tanimoto metric | 0.7117 |
|---|---|
| Cosine metric | 0.8318 |
| Dice metric | 0.8316 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.38 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+223 more
