Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM91231
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM91231 |
| SMILES |
N#CCOCCC(=O)CO
|
| InChIKey |
IHVNMWZOTGMWFW-UHFFFAOYSA-N
|
| MW [Da] |
143.14
Automatically obtained from RDkit software. |
| LogP |
-0.52
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM44986
Similarity: 0.8148
Similarity to MM44986
| Tanimoto metric | 0.8148 |
|---|---|
| Cosine metric | 0.9027 |
| Dice metric | 0.898 |
| MW: | 127.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.51 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM166368
Similarity: 0.8025
Similarity to MM166368
| Tanimoto metric | 0.8025 |
|---|---|
| Cosine metric | 0.8958 |
| Dice metric | 0.8904 |
| MW: | 132.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM91181
Similarity: 0.7647
Similarity to MM91181
| Tanimoto metric | 0.7647 |
|---|---|
| Cosine metric | 0.8695 |
| Dice metric | 0.8667 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+310 more
