Molecular Properties | |
SMILES: | COC(=O)c1ccncc1NC(=O)Cc1cccc(C(F)(F)F)c1 |
MW: | 338.09 |
Fraction sp3: | 0.19 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 68.29 |
cLogP: | 3.07 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Ester
JOH-UNI-abfda500-7
0.735
ALP-POS-95b75b4d-3
0.634
JAN-GHE-83b26c96-14
0.634
DAR-DIA-0cde14eb-76
0.634
DAR-DIA-0cde14eb-79
0.513
RAL-THA-2d450e86-31
0.494
DAR-DIA-0cde14eb-77
0.494
ANN-UNI-98d2bf15-3
0.481
JOH-UNI-abfda500-5
0.481
JOH-UNI-abfda500-4
0.481
ANN-UNI-98d2bf15-5
0.451
JAN-GHE-83b26c96-13
0.436
SAM-UNK-2684b532-12
0.432
JIN-POS-6dc588a4-4
0.432
EDJ-MED-e58735b6-1
0.420
EDJ-MED-e58735b6-2
0.418
RUB-POS-1325a9ea-19
0.415
JIN-POS-6dc588a4-3
0.415
ALP-POS-95b75b4d-1
0.412
DAR-DIA-0cde14eb-2
0.412
SAM-UNK-2684b532-13
0.410
ALP-POS-95b75b4d-8
0.410
JIN-POS-6dc588a4-6
0.400
ALP-POS-95b75b4d-2
0.400
TRY-UNI-714a760b-6
0.400
ALP-POS-95b75b4d-9
0.398
MAT-POS-bb423b95-5
0.398
JAN-GHE-83b26c96-12
0.395
DAR-DIA-0cde14eb-78
0.388
ALP-POS-95b75b4d-6
0.388
ALP-POS-95b75b4d-4
0.384
DAR-DIA-0cde14eb-1
0.384
EDJ-MED-e58735b6-4
0.382
SAM-UNK-2684b532-11
0.381
ANN-UNI-98d2bf15-2
0.381
DAR-DIA-0cde14eb-14
0.378
TRY-UNI-714a760b-20
0.376
ALP-POS-95b75b4d-10
0.375
DAR-DIA-0cde14eb-3
0.375
DAR-DIA-0cde14eb-4
0.375
SAD-SAT-24589cd1-3
0.375
ALP-POS-95b75b4d-5
0.372
MAT-POS-bb423b95-4
0.372
EDJ-MED-e58735b6-3
0.372
MAK-UNK-6ca90168-23
0.369
SAD-SAT-24589cd1-5
0.365
ALP-POS-95b75b4d-7
0.360
SAD-SAT-24589cd1-10
0.357
BRU-LEF-c49414a7-1
0.355
RAL-THA-901e9a10-7
0.355
JIN-POS-6dc588a4-13
0.352
MAT-POS-bb423b95-3
0.352
ALP-POS-0c2c77e1-1
0.352
SAD-SAT-24589cd1-8
0.352
ABI-SAT-4d06482b-2
0.345
RAL-THA-2d450e86-11
0.344
SAD-SAT-24589cd1-1
0.344
SAD-SAT-7d5528d9-1
0.344
TRY-UNI-714a760b-5
0.342
MAT-POS-bb423b95-1
0.341
MAT-POS-bb423b95-9
0.341
JIN-POS-6dc588a4-18
0.341
MIC-UNK-668ac5de-1
0.337
MAT-POS-c20a539d-2
0.337
UNK-UNK-2ede4078-51
0.337
MAT-POS-90fd5f68-6
0.337
MAT-POS-f7918075-5
0.333
PET-UNK-b38839dc-1
0.333
PET-UNK-8df914d1-3
0.333
MAT-POS-29385cc1-1
0.333
MAT-POS-90fd5f68-24
0.330
MIC-UNK-08cd9c58-1
0.330
RUB-POS-1325a9ea-15
0.330
MAT-POS-f7918075-3
0.330
JAN-GHE-5a013bed-10
0.329
SAD-SAT-24589cd1-9
0.327
PET-UNK-b38839dc-2
0.326
MIC-UNK-50cce87d-4
0.326
RUB-POS-1325a9ea-9
0.326
ALV-UNI-7ff1a6f9-46
0.326
RAL-THA-2d450e86-13
0.326
TRY-UNI-714a760b-3
0.326
EDG-MED-0da5ad92-21
0.325
MAT-POS-90fd5f68-23
0.323
MAT-POS-29385cc1-2
0.323
MIC-UNK-f2576da4-1
0.323
JIN-POS-6dc588a4-22
0.322
JAG-UCB-a3ef7265-23
0.322
MAK-UNK-748f8b7a-6
0.320
MAT-POS-90fd5f68-5
0.320
PET-UNK-8df914d1-1
0.319
EDJ-MED-00c1612e-1
0.319
JOH-UNI-3fc3434e-3
0.319
JOH-UNI-ee5ed7c8-3
0.319
VLA-UCB-00f2c2b3-2
0.319
JIN-POS-6dc588a4-10
0.319
EDJ-MED-c5ca5386-1
0.319
RUB-POS-1325a9ea-11
0.319
RUB-POS-1325a9ea-5
0.319
AGN-NEW-c7b24fe3-2
0.318