Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM86020
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM86020 |
| SMILES |
CCNCC(C)CO
|
| InChIKey |
ZHBUZINBDSZNNV-UHFFFAOYSA-N
|
| MW [Da] |
117.19
Automatically obtained from RDkit software. |
| LogP |
0.22
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM165540
Similarity: 0.9038
Similarity to MM165540
| Tanimoto metric | 0.9038 |
|---|---|
| Cosine metric | 0.9507 |
| Dice metric | 0.9495 |
| MW: | 131.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.61 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM71793
Similarity: 0.8545
Similarity to MM71793
| Tanimoto metric | 0.8545 |
|---|---|
| Cosine metric | 0.9244 |
| Dice metric | 0.9216 |
| MW: | 133.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.8 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM144042
Similarity: 0.8103
Similarity to MM144042
| Tanimoto metric | 0.8103 |
|---|---|
| Cosine metric | 0.9002 |
| Dice metric | 0.8952 |
| MW: | 131.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.61 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+729 more
