Molecular Properties | |
SMILES: | O=C(Nc1cnccc1C(F)(F)F)C1CCNc2cc(Cl)c(Cl)cc21 |
MW: | 389.03 |
Fraction sp3: | 0.25 |
HBA: | 3 |
HBD: | 2 |
Rotatable Bonds: | 2 |
TPSA: | 54.02 |
cLogP: | 4.95 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
high halogen content (>3)
ALP-UNI-8d415491-1
0.667
EDJ-MED-611d11e7-11
0.627
ALP-UNI-8d415491-4
0.627
ALP-UNI-8d415491-3
0.622
EDJ-MED-611d11e7-5
0.586
MAT-POS-ec6d90b7-5
0.586
ALP-UNI-8d415491-6
0.586
MAT-POS-78e1d523-5
0.570
MAT-POS-f9802937-8
0.570
ALP-UNI-3735e77e-4
0.570
MAT-POS-f9802937-9
0.570
MAT-POS-78e1d523-6
0.570
ALF-EVA-b701bd13-1
0.567
ALF-EVA-82cf4849-9
0.565
BEN-DND-f06bfa8e-6
0.563
BEN-DND-f06bfa8e-1
0.562
ALF-EVA-b701bd13-2
0.549
DAR-DIA-06c53477-2
0.545
DAR-DIA-06c53477-3
0.545
DAR-DIA-06c53477-1
0.545
ALP-UNI-8d415491-2
0.545
EDJ-MED-611d11e7-8
0.543
MAT-POS-96f51285-6
0.543
EDJ-MED-611d11e7-2
0.543
ALF-EVA-82cf4849-10
0.543
ALP-UNI-8d415491-5
0.543
MAT-POS-ec6d90b7-6
0.543
ALF-EVA-82cf4849-6
0.538
ALF-EVA-82cf4849-7
0.533
BEN-DND-02317c5c-5
0.484
MAT-POS-500f4700-2
0.484
DAV-ILL-edda7d6f-1
0.467
ALF-EVA-b701bd13-5
0.457
ALP-POS-fe871b40-10
0.453
ALP-UNI-ba800595-2
0.453
ALF-EVA-82cf4849-1
0.442
EDJ-MED-343bb62d-3
0.439
EDJ-MED-ee742daa-4
0.434
ALF-EVA-82cf4849-2
0.429
DAV-ILL-89eb723b-1
0.421
EDJ-MED-343bb62d-1
0.417
DAV-ILL-03f0d021-1
0.417
EDJ-MED-343bb62d-2
0.412
PET-UNK-7f7e354d-2
0.394
EDJ-MED-343bb62d-4
0.387
PET-UNK-b1ef24dc-12
0.384
BEN-DND-02317c5c-7
0.380
SAM-UNK-2684b532-12
0.379
JIN-POS-6dc588a4-4
0.379
PET-UNK-e274cad4-4
0.376
MAT-POS-86c60949-2
0.375
BEN-DND-d1eb1f41-10
0.375
ALF-EVA-b701bd13-4
0.375
ALP-POS-477dc5b7-2
0.374
PET-UNK-b1ef24dc-9
0.374
EDJ-MED-92e193ae-2
0.374
EDJ-MED-92e193ae-1
0.374
MIC-UNK-91acba05-5
0.374
PET-UNK-b1ef24dc-11
0.374
BEN-DND-d1eb1f41-5
0.373
PET-UNK-b1ef24dc-10
0.370
SAM-UNK-2684b532-6
0.367
DAR-DIA-06c53477-4
0.366
DAR-DIA-06c53477-6
0.366
DAR-DIA-06c53477-5
0.366
ALF-EVA-b701bd13-6
0.366
PET-UNK-e274cad4-9
0.366
BEN-DND-d1eb1f41-1
0.359
BEN-DND-6de5dfa0-20
0.352
VLA-UNK-8e76d113-1
0.349
BEN-DND-d1eb1f41-3
0.349
BEN-DND-d1eb1f41-2
0.346
VLA-UNK-56836b69-4
0.340
VLA-UNK-8e76d113-2
0.333
ALF-EVA-b701bd13-3
0.333
EDJ-MED-ee742daa-1
0.330
DAR-DIA-0587064e-11
0.327
BAR-COM-0f94fc3d-9
0.327
ADA-UCB-6c2cb422-2
0.326
ALF-EVA-82cf4849-5
0.324
EDJ-MED-611d11e7-12
0.324
MAT-POS-ec6d90b7-3
0.324
PET-UNK-f4e47ebd-5
0.324
MAT-POS-a5ef2d74-1
0.324
ALP-UNI-ba800595-1
0.324
BEN-DND-34fc7f90-6
0.320
MIC-UNK-8758c41d-3
0.320
ALP-POS-fe871b40-16
0.320
VLA-UNK-56836b69-1
0.320
ALP-POS-fe871b40-6
0.317
ROB-UNI-611831f5-2
0.317
EDG-MED-fe7487f8-4
0.316
EDJ-MED-ee742daa-3
0.314
PET-UNK-f4e47ebd-6
0.314
ALF-EVA-a24cc7ce-3
0.314
BEN-DND-34fc7f90-7
0.314
JUL-TUD-06b2044f-2
0.310
BEN-DND-34fc7f90-2
0.308
BEN-DND-02317c5c-6
0.308
BEN-DND-34fc7f90-1
0.301