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DocumentationIdentifier: MM303817
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM303817 |
| SMILES |
CC#CC(CNC)NC=N
|
| InChIKey |
KVDNKEJHMRZEBY-UHFFFAOYSA-N
|
| MW [Da] |
139.2
Automatically obtained from RDkit software. |
| LogP |
-0.21
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM379718
Similarity: 0.7542
Similarity to MM379718
| Tanimoto metric | 0.7542 |
|---|---|
| Cosine metric | 0.8607 |
| Dice metric | 0.8599 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM379720
Similarity: 0.7273
Similarity to MM379720
| Tanimoto metric | 0.7273 |
|---|---|
| Cosine metric | 0.8426 |
| Dice metric | 0.8421 |
| MW: | 140.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.53 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM387786
Similarity: 0.6949
Similarity to MM387786
| Tanimoto metric | 0.6949 |
|---|---|
| Cosine metric | 0.8226 |
| Dice metric | 0.82 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.62 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+145 more
