Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM445035
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM445035 |
| SMILES |
CC1C(C)N1C(C#N)C#N
|
| InChIKey |
LFBXOPIMHFPTLO-UHFFFAOYSA-N
|
| MW [Da] |
135.17
Automatically obtained from RDkit software. |
| LogP |
0.49
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM212151
Similarity: 0.9174
Similarity to MM212151
| Tanimoto metric | 0.9174 |
|---|---|
| Cosine metric | 0.9578 |
| Dice metric | 0.9569 |
| MW: | 124.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.99 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM195182
Similarity: 0.8264
Similarity to MM195182
| Tanimoto metric | 0.8264 |
|---|---|
| Cosine metric | 0.9091 |
| Dice metric | 0.905 |
| MW: | 121.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM277285
Similarity: 0.7551
Similarity to MM277285
| Tanimoto metric | 0.7551 |
|---|---|
| Cosine metric | 0.8621 |
| Dice metric | 0.8605 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.38 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+126 more
