Molecule Details
| Molecular Properties | |
| SMILES: | CNC(=O)c1ccc2cncc(N)c2c1 |
| MW: | 201.09 |
| Fraction sp3: | 0.09 |
| HBA: | 3 |
| HBD: | 2 |
| Rotatable Bonds: | 1 |
| TPSA: | 68.01 |
| cLogP: | 1.18 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
| Order Status | |
| Ordered: | 2021-11-29 |
| Synthesis Location: | enamine |
| Shipped: | synthesis in progress |
aniline
EDJ-MED-305b0cb7-3
0.456
MAT-POS-90fd5f68-20
0.416
MAT-POS-38eb6498-6
0.367
MAT-POS-38eb6498-5
0.364
BEN-DND-fa51d92c-11
0.347
BEN-DND-fa51d92c-17
0.340
EDJ-MED-305b0cb7-1
0.339
BEN-DND-fa51d92c-10
0.337
BEN-DND-f6031113-17
0.333
BEN-DND-fa51d92c-1
0.330
BEN-DND-f6031113-10
0.330
BEN-DND-f6031113-11
0.330
MAT-POS-38eb6498-2
0.327
MAT-POS-5c19d660-3
0.315
BEN-DND-f6031113-2
0.311
MAT-POS-90fd5f68-2
0.310
EDJ-MED-378a25ea-2
0.306
MAT-POS-78ab8081-4
0.306
MAT-POS-78ab8081-3
0.303
MAR-TRE-a9136c7b-8
0.298
RAL-THA-1d44ff04-5
0.294
MAT-POS-90fd5f68-26
0.292
MAT-POS-90fd5f68-19
0.289
UNK-UNK-2ede4078-34
0.286
MAT-POS-90fd5f68-37
0.277
MAT-POS-90fd5f68-21
0.276
VLA-UNK-5d8210f0-1
0.272
AMD-UAU-3d234461-2
0.270
LON-WEI-af038623-3
0.269
EDJ-MED-32ea7ca7-1
0.265
MAK-UNK-f481d203-3
0.263
MAK-UNK-f481d203-4
0.263
MAK-UNK-919546f0-2
0.263
VLA-UNK-5d8210f0-3
0.262
VLA-UNK-f2612802-3
0.262
VLA-UNK-61877630-4
0.260
VLA-UNK-8e615992-1
0.260
RAL-THA-2d450e86-26
0.259
WIL-UNI-2a57d06c-18
0.256
EDJ-MED-b1cef252-1
0.255
MAT-POS-89bd6af1-4
0.255
MAT-POS-83a7b0a0-1
0.255
VLA-UNK-9a7dc93f-2
0.253
MAT-POS-d8472c4f-4
0.253
VLA-UNK-9a7dc93f-5
0.253
VLA-UNK-8e615992-3
0.252
MAT-POS-fce787c2-5
0.250
ALP-POS-d7944b10-1
0.250
ALP-POS-6479a3a9-3
0.250
VLA-UNK-5d8210f0-4
0.248
PET-UNK-9b23ef84-3
0.247
ALP-POS-76eab5ce-2
0.247
DAR-DIA-6a49afbe-1
0.247
RAL-THA-2d450e86-3
0.247
TRY-UNI-714a760b-2
0.247
EDG-MED-b1ef7fe3-2
0.245
EDJ-MED-b6c6ee2b-6
0.245
ALP-POS-4483ae88-2
0.245
VLA-UNK-61877630-5
0.245
VLA-UNK-8e615992-2
0.245
VLA-UNK-5d8210f0-2
0.245
PET-UNK-14142a25-1
0.245
LUO-POS-8c3e556a-2
0.245
EDJ-MED-8bb691af-3
0.245
EDJ-MED-8bb691af-8
0.245
EDG-MED-b1ef7fe3-1
0.245
LUO-POS-868e8996-12
0.245
MIK-ENA-37e0b697-1
0.245
ALP-POS-afe0272e-2
0.245
LUO-POS-9931618f-2
0.245
MIK-ENA-794411b8-1
0.245
LUO-POS-8c3e556a-1
0.245
LUO-POS-9931618f-1
0.245
EDJ-MED-8bb691af-4
0.245
PET-UNK-14142a25-10
0.245
LUO-POS-868e8996-11
0.245
MAT-POS-c7726e07-5
0.245
MAT-POS-c7726e07-6
0.245
MAT-POS-dd3ad2b5-5
0.245
MAR-UCB-f313ec4d-2
0.244
DAR-DIA-6a49afbe-2
0.244
MAT-POS-91829f0d-1
0.244
MAR-TRE-9d18ae8c-60
0.244
RAL-THA-2d450e86-7
0.244
VLA-UNK-5d8210f0-5
0.243
VLA-UNK-f2612802-2
0.243
LUO-POS-b4dec3be-1
0.243
MIK-ENA-610c7cf9-1
0.243
LUO-POS-b4dec3be-2
0.243
MIK-ENA-4bb8c98f-1
0.243
MAT-POS-b4d6b7fc-5
0.243
EDJ-MED-28b38b9b-2
0.243
ALP-POS-afe0272e-1
0.243
MAT-UCL-e2ab2224-1
0.242
MAK-UNK-8be7dca9-7
0.242
MAT-POS-89e65850-3
0.242
DAR-DIA-5a24bef0-14
0.241
PET-UNK-d899bab6-1
0.241
WIL-UNI-d4749f31-2
0.241
DAR-DIA-5a24bef0-16
0.241