Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM90181
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM90181 |
| SMILES |
CC(C)CNC(C#N)C#N
|
| InChIKey |
WPYPYJCMPMLCMP-UHFFFAOYSA-N
|
| MW [Da] |
137.19
Automatically obtained from RDkit software. |
| LogP |
0.65
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM224734
Similarity: 0.7895
Similarity to MM224734
| Tanimoto metric | 0.7895 |
|---|---|
| Cosine metric | 0.8824 |
| Dice metric | 0.8824 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.53 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM404344
Similarity: 0.75
Similarity to MM404344
| Tanimoto metric | 0.75 |
|---|---|
| Cosine metric | 0.8574 |
| Dice metric | 0.8571 |
| MW: | 134.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM227884
Similarity: 0.7229
Similarity to MM227884
| Tanimoto metric | 0.7229 |
|---|---|
| Cosine metric | 0.8402 |
| Dice metric | 0.8392 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.53 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+212 more
