Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM176300
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM176300 |
| SMILES |
CC=CCOC1(C)CC1
|
| InChIKey |
YXFZVVKWOCROTO-UHFFFAOYSA-N
|
| MW [Da] |
126.2
Automatically obtained from RDkit software. |
| LogP |
2.13
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM115758
Similarity: 0.875
Similarity to MM115758
| Tanimoto metric | 0.875 |
|---|---|
| Cosine metric | 0.9354 |
| Dice metric | 0.9333 |
| MW: | 112.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.74 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM429514
Similarity: 0.8148
Similarity to MM429514
| Tanimoto metric | 0.8148 |
|---|---|
| Cosine metric | 0.9027 |
| Dice metric | 0.898 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.52 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM176301
Similarity: 0.7404
Similarity to MM176301
| Tanimoto metric | 0.7404 |
|---|---|
| Cosine metric | 0.8512 |
| Dice metric | 0.8508 |
| MW: | 130.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+345 more
