Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM280329
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM280329 |
| SMILES |
C=C(CC#N)NC=NCC
|
| InChIKey |
PWHMCXZOBHGWTP-UHFFFAOYSA-N
|
| MW [Da] |
137.19
Automatically obtained from RDkit software. |
| LogP |
1.05
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM95085
Similarity: 0.8763
Similarity to MM95085
| Tanimoto metric | 0.8763 |
|---|---|
| Cosine metric | 0.9361 |
| Dice metric | 0.9341 |
| MW: | 123.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.66 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM168544
Similarity: 0.7732
Similarity to MM168544
| Tanimoto metric | 0.7732 |
|---|---|
| Cosine metric | 0.8793 |
| Dice metric | 0.8721 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.55 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM280079
Similarity: 0.6696
Similarity to MM280079
| Tanimoto metric | 0.6696 |
|---|---|
| Cosine metric | 0.8027 |
| Dice metric | 0.8021 |
| MW: | 141.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+292 more
