Molecular Properties | |
SMILES: | CC(C(=O)Nc1cnccc1C(F)F)c1cccc(Cl)c1 |
MW: | 310.07 |
Fraction sp3: | 0.2 |
HBA: | 2 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 41.99 |
cLogP: | 4.41 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
SAM-UNK-2684b532-7
0.682
TRY-UNI-2eddb1ff-4
0.647
JAN-GHE-83b26c96-4
0.647
TRY-UNI-2eddb1ff-5
0.647
JAN-GHE-83b26c96-5
0.647
TRY-UNI-714a760b-18
0.647
SAM-UNK-2684b532-6
0.634
JAN-GHE-83b26c96-2
0.620
MAK-UNK-f203cb68-2
0.571
JAN-GHE-83b26c96-3
0.564
JAN-GHE-83b26c96-6
0.562
SAM-UNK-2684b532-11
0.548
MAK-UNK-f203cb68-4
0.542
TRY-UNI-714a760b-15
0.541
MAK-UNK-f203cb68-13
0.524
MAK-UNK-f203cb68-21
0.524
MAK-UNK-f203cb68-22
0.518
MAK-UNK-f203cb68-10
0.512
MAK-UNK-f203cb68-12
0.512
MAK-UNK-f203cb68-11
0.494
MAK-UNK-f203cb68-20
0.489
MAT-POS-bb423b95-5
0.487
MAK-UNK-f203cb68-19
0.482
MAT-POS-1e5f28a7-1
0.450
JAN-GHE-83b26c96-9
0.449
EDG-MED-0da5ad92-5
0.449
JAN-GHE-83b26c96-10
0.438
DAR-DIA-0cde14eb-12
0.429
JAN-GHE-83b26c96-8
0.422
TRY-UNI-714a760b-22
0.415
BRU-CON-67e07230-1
0.415
DAR-DIA-0cde14eb-11
0.412
TRY-UNI-2eddb1ff-3
0.410
SAM-UNK-2684b532-1
0.405
DAR-DIA-0cde14eb-10
0.400
RYA-UNI-9b5114df-1
0.395
DAR-DIA-0cde14eb-13
0.395
MAK-UNK-f203cb68-3
0.391
JAN-GHE-83b26c96-7
0.390
DAR-DIA-0cde14eb-15
0.382
AHN-SAT-202241f6-1
0.382
BEN-DND-93268d01-15
0.382
TRY-UNI-714a760b-17
0.382
SAM-UNK-2684b532-3
0.378
VLA-UCB-05e51b3f-2
0.378
TRY-UNI-9f475305-3
0.378
NAU-LAT-a5c7d7cb-3
0.378
ADA-UCB-6c2cb422-9
0.375
MAK-UNK-f203cb68-16
0.372
MAK-UNK-f203cb68-17
0.372
MAK-UNK-f203cb68-1
0.366
TRY-UNI-2eddb1ff-8
0.366
VLA-UNK-9a7dc93f-7
0.364
JIN-POS-6dc588a4-4
0.361
SAM-UNK-2684b532-12
0.361
SAM-UNK-2684b532-13
0.354
ALP-POS-95b75b4d-8
0.354
MAK-UNK-f203cb68-15
0.352
EDJ-MED-cf4b0d25-4
0.352
JAG-UCB-cedd89ab-8
0.350
TRY-UNI-714a760b-12
0.350
MAK-UNK-f203cb68-8
0.348
CHR-SOS-7098f804-21
0.346
TRY-UNI-714a760b-6
0.346
JIN-POS-6dc588a4-3
0.345
DAR-DIA-0cde14eb-57
0.344
ALP-POS-95b75b4d-7
0.341
ALP-POS-ddb41b15-7
0.341
TRY-UNI-714a760b-21
0.341
MAK-UNK-f203cb68-7
0.340
JAN-GHE-83b26c96-22
0.337
JOH-IMS-d6628593-4
0.337
EDG-MED-0da5ad92-10
0.337
WIL-MOD-03b86a88-3
0.337
MAK-UNK-f203cb68-14
0.337
MAK-UNK-ffc90da7-7
0.337
ALP-POS-95b75b4d-6
0.333
ADA-UNI-f8e79267-10
0.333
MIC-UNK-5a93dd5f-8
0.333
DAR-DIA-0cde14eb-42
0.333
MIC-UNK-51049f1a-5
0.333
JIN-POS-6dc588a4-6
0.333
MAT-POS-fce787c2-3
0.333
ALP-POS-0c2c77e1-1
0.333
MAT-POS-bb423b95-3
0.333
MAK-UNK-ffc90da7-1
0.330
MAK-UNK-c749d764-6
0.330
DAR-DIA-0cde14eb-56
0.330
RUB-POS-1325a9ea-19
0.329
JAN-GHE-83b26c96-1
0.329
JAN-GHE-83b26c96-23
0.329
ALP-POS-f13221e1-4
0.329
MAK-UNK-6ca90168-24
0.329
JAG-UCB-cedd89ab-5
0.329
DAR-DIA-5a24bef0-15
0.326
SAD-SAT-7d5528d9-5
0.326
DAR-DIA-5a24bef0-16
0.326
DAR-DIA-5a24bef0-14
0.326
DAR-DIA-0cde14eb-72
0.326
ADA-UNI-f8e79267-11
0.326