Molecular Properties | |
SMILES: | CC(C)Cc1cc(Cl)cc2c1OC[C@H](C)[C@H]2C(=O)Nc1cncc2ccccc12 |
MW: | 408.16 |
Fraction sp3: | 0.33 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 51.22 |
cLogP: | 5.84 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
DAR-DIA-0d514e7d-2
0.670
DAR-DIA-0d514e7d-1
0.670
DAR-DIA-0d514e7d-9
0.663
DAR-DIA-0d514e7d-19
0.663
DAR-DIA-0d514e7d-18
0.660
DAR-DIA-0d514e7d-23
0.660
DAR-DIA-0d514e7d-6
0.656
DAR-DIA-0d514e7d-7
0.656
DAR-DIA-0d514e7d-13
0.643
DAR-DIA-0d514e7d-17
0.643
DAR-DIA-0d514e7d-20
0.634
DAR-DIA-0d514e7d-22
0.634
DAR-DIA-0d514e7d-4
0.630
DAR-DIA-0d514e7d-5
0.630
DAR-DIA-0d514e7d-16
0.630
DAR-DIA-0d514e7d-21
0.627
DAR-DIA-0d514e7d-12
0.624
DAR-DIA-0d514e7d-10
0.621
DAR-DIA-0d514e7d-14
0.618
DAR-DIA-0d514e7d-15
0.618
EDJ-MED-e4b030d8-11
0.600
ADA-UCB-dc2b944c-13
0.600
MAT-POS-8a69d52e-7
0.600
MAT-POS-8a69d52e-4
0.600
ADA-UCB-dc2b944c-14
0.600
MAT-POS-8a69d52e-5
0.600
BRU-THA-01b12488-1
0.600
MAT-POS-8a69d52e-6
0.600
ROB-UNI-8bf7c232-1
0.535
ALF-EVA-5b152d2f-6
0.535
DAR-DIA-0d514e7d-8
0.525
DAR-DIA-0d514e7d-11
0.525
DAR-DIA-0d514e7d-34
0.510
DAR-DIA-0d514e7d-35
0.510
LAU-MED-88a3970a-6
0.505
LAU-MED-88a3970a-5
0.505
MAR-UCB-6ab2ec87-4
0.495
DAR-DIA-6a508060-5
0.491
LAU-MED-88a3970a-18
0.491
LAU-MED-88a3970a-9
0.491
LAU-MED-88a3970a-10
0.491
LAU-MED-88a3970a-17
0.491
LAU-MED-88a3970a-11
0.486
LAU-MED-88a3970a-12
0.486
LAU-MED-88a3970a-13
0.486
LAU-MED-88a3970a-14
0.486
DAR-DIA-23e5a6a0-10
0.482
LAU-MED-88a3970a-7
0.481
LAU-MED-88a3970a-8
0.481
BEN-BAS-5c03e89e-1
0.481
LAU-MED-88a3970a-15
0.477
LAU-MED-88a3970a-16
0.477
EDJ-MED-e4b030d8-6
0.477
MAK-UNK-8be7dca9-3
0.476
MAT-POS-22e8b45a-4
0.476
MAT-POS-777f5926-1
0.476
ADA-UCB-dc2b944c-15
0.476
DAR-DIA-0d514e7d-3
0.476
DAR-DIA-23e5a6a0-8
0.474
DAR-DIA-0d514e7d-33
0.471
DAR-DIA-23e5a6a0-7
0.470
ROB-UNI-7b37d95b-1
0.466
MAR-UCB-6ab2ec87-2
0.465
MAT-POS-2e8b2191-2
0.462
DAR-DIA-23e5a6a0-6
0.462
ADA-UCB-dc2b944c-16
0.462
MAT-POS-bbbbc21a-2
0.460
EDJ-MED-12c115cc-1
0.460
EDJ-MED-12c115cc-2
0.460
MAT-POS-f7918075-2
0.460
DAR-DIA-0d514e7d-25
0.459
DAR-DIA-0d514e7d-26
0.459
DAR-DIA-23e5a6a0-9
0.458
RAL-THA-05e671eb-18
0.457
DAR-DIA-0d514e7d-36
0.456
DAR-DIA-0587064e-12
0.455
MAT-POS-5369c344-4
0.455
BEN-BAS-5c03e89e-2
0.453
MAT-POS-f39f51fd-1
0.452
ALP-UNI-3735e77e-2
0.452
DAR-DIA-9f765dc6-2
0.452
DAR-DIA-9f765dc6-6
0.452
RAL-THA-05e671eb-16
0.452
DAR-DIA-9f765dc6-5
0.452
MAT-POS-43fe65f4-1
0.449
EDJ-MED-e4b030d8-7
0.449
RAL-THA-05e671eb-19
0.449
EDJ-MED-e4b030d8-5
0.449
DAR-DIA-6a508060-4
0.449
ALP-POS-ce760d3f-1
0.448
DAR-DIA-0587064e-17
0.446
FRA-DIA-0fa076fe-2
0.446
FRA-DIA-0fa076fe-1
0.444
FRA-DIA-c7e803f4-1
0.444
RAL-THA-c9f97604-2
0.444
MAT-POS-8a69d52e-2
0.443
RAL-THA-05e671eb-17
0.443
EDJ-MED-e4b030d8-2
0.443
ALP-POS-d3acb8cc-4
0.443
EDJ-MED-e4b030d8-3
0.443