Molecular Properties | |
SMILES: | C[C@H]1COc2cc(F)c(F)cc2[C@@H]1C(=O)Nc1cncc2ccccc12 |
MW: | 354.12 |
Fraction sp3: | 0.2 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 2 |
TPSA: | 51.22 |
cLogP: | 4.26 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAT-POS-8a69d52e-4
0.694
ADA-UCB-dc2b944c-13
0.694
EDJ-MED-e4b030d8-11
0.694
MAT-POS-8a69d52e-5
0.694
ADA-UCB-dc2b944c-14
0.694
MAT-POS-8a69d52e-6
0.694
BRU-THA-01b12488-1
0.694
MAT-POS-8a69d52e-7
0.694
DAR-DIA-0d514e7d-8
0.659
DAR-DIA-0d514e7d-11
0.659
ROB-UNI-7b37d95b-1
0.589
DAR-DIA-0d514e7d-13
0.577
DAR-DIA-0d514e7d-14
0.570
DAR-DIA-0d514e7d-15
0.570
DAR-DIA-0d514e7d-16
0.566
DAR-DIA-0d514e7d-9
0.562
DAR-DIA-0d514e7d-17
0.561
DAR-DIA-0d514e7d-12
0.560
DAR-DIA-0d514e7d-1
0.552
DAR-DIA-0d514e7d-2
0.552
ALF-EVA-5b152d2f-6
0.547
DAR-DIA-0d514e7d-19
0.546
DAR-DIA-0d514e7d-18
0.545
DAR-DIA-0d514e7d-23
0.545
DAR-DIA-0d514e7d-6
0.541
DAR-DIA-0d514e7d-7
0.541
DAR-DIA-0d514e7d-24
0.535
ALF-EVA-ced740bd-4
0.533
DAR-DIA-0d514e7d-22
0.524
DAR-DIA-0d514e7d-20
0.524
BEN-BAS-5c03e89e-1
0.521
DAR-DIA-0d514e7d-4
0.520
DAR-DIA-0d514e7d-5
0.520
DAR-DIA-0d514e7d-21
0.519
DAR-DIA-0d514e7d-34
0.505
DAR-DIA-0d514e7d-35
0.505
EDJ-MED-e4b030d8-6
0.500
MAK-UNK-8be7dca9-3
0.500
DAR-DIA-0d514e7d-10
0.500
ALP-UNI-3735e77e-3
0.485
RAL-THA-05e671eb-11
0.485
MAT-POS-f7918075-2
0.484
MAT-POS-bbbbc21a-2
0.484
EDJ-MED-12c115cc-1
0.484
EDJ-MED-12c115cc-2
0.484
MAT-POS-a13804f0-2
0.480
ALP-POS-fe871b40-9
0.480
MAT-POS-a13804f0-3
0.480
ALP-POS-d91e0300-1
0.480
RAL-THA-05e671eb-10
0.480
EDJ-MED-e4b030d8-12
0.479
MAT-POS-8e4737f4-2
0.479
MAR-UCB-6ab2ec87-2
0.474
ADA-UCB-dc2b944c-15
0.469
MAT-POS-2e8b2191-2
0.469
DAR-DIA-0d514e7d-3
0.469
ADA-UCB-dc2b944c-16
0.469
DAR-DIA-0d514e7d-33
0.465
RAL-THA-05e671eb-13
0.464
RAL-THA-05e671eb-4
0.464
ADA-UCB-dc2b944c-7
0.464
DAR-DIA-0d514e7d-28
0.455
DAR-DIA-0d514e7d-29
0.455
MAT-POS-22e8b45a-4
0.455
MAT-POS-777f5926-1
0.455
RYA-UNI-6d7114fd-1
0.454
RAL-THA-05e671eb-2
0.454
ALP-POS-869ac754-1
0.454
RAL-THA-05e671eb-22
0.453
ALF-EVA-5b152d2f-1
0.450
DAR-DIA-0d514e7d-36
0.449
RAL-THA-05e671eb-3
0.449
RAL-THA-05e671eb-33
0.449
BEN-BAS-5c03e89e-2
0.446
VLA-UCB-1dbca3b4-16
0.444
ALP-POS-c86619f0-1
0.444
RAL-THA-05e671eb-12
0.444
PET-UNK-c0891748-6
0.440
PET-UNK-c0891748-12
0.440
MAT-POS-2e8b2191-3
0.440
VLA-UNK-9a7dc93f-3
0.440
FRA-DIA-0fa076fe-2
0.438
RAL-THA-c9f97604-2
0.437
FRA-DIA-0fa076fe-1
0.436
FRA-DIA-c7e803f4-1
0.436
ALP-POS-d3acb8cc-4
0.436
ALP-POS-d3acb8cc-1
0.436
ALP-POS-d3acb8cc-2
0.436
MAT-POS-8a69d52e-3
0.436
RAL-THA-05e671eb-17
0.436
RAL-THA-05e671eb-9
0.436
EDJ-MED-e4b030d8-2
0.436
EDJ-MED-e4b030d8-3
0.436
MAT-POS-8a69d52e-1
0.436
MAT-POS-8a69d52e-2
0.436
ALP-POS-d3acb8cc-3
0.436
MAT-UNK-35705829-1
0.435
VLA-UCB-1dbca3b4-15
0.434
MAT-POS-b3e365b9-1
0.434
MAT-POS-f7918075-1
0.434