Molecular Properties | |
SMILES: | COc1cc2c(NC(=O)[C@]3(OC)CCOc4c(F)cc(Cl)cc43)cncc2cc1F |
MW: | 434.08 |
Fraction sp3: | 0.24 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 69.68 |
cLogP: | 4.44 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
PET-UNK-a7639856-3
PET-UNK-a7639856-1
PET-UNK-7f7e354d-7
RAL-THA-05e671eb-17
JIN-POS-6dc588a4-22
RUB-POS-1325a9ea-12
EDJ-MED-37aac4bd-4
EDG-MED-10fcb19e-1
PET-UNK-a7639856-2
PET-UNK-f4e47ebd-2
PET-UNK-d899bab6-2
PET-UNK-b38839dc-1
RAL-THA-2d450e86-14
RUB-POS-1325a9ea-14
MAT-POS-96f51285-2
PET-UNK-f4e47ebd-1
JIN-POS-6dc588a4-11
PET-UNK-81b485b5-7
1.000
PET-UNK-81b485b5-8
0.763
PET-UNK-81b485b5-22
0.763
PET-UNK-81b485b5-10
0.740
PET-UNK-81b485b5-24
0.740
PET-UNK-81b485b5-1
0.728
PET-UNK-81b485b5-15
0.728
PET-UNK-81b485b5-28
0.716
PET-UNK-81b485b5-14
0.716
PET-UNK-81b485b5-6
0.713
PET-UNK-81b485b5-20
0.713
PET-UNK-81b485b5-13
0.708
PET-UNK-81b485b5-27
0.708
PET-UNK-b38839dc-19
0.677
PET-UNK-81b485b5-12
0.677
PET-UNK-81b485b5-26
0.677
PET-UNK-81b485b5-9
0.657
PET-UNK-81b485b5-23
0.657
PET-UNK-81b485b5-4
0.649
PET-UNK-81b485b5-18
0.649
PET-UNK-81b485b5-11
0.644
PET-UNK-81b485b5-25
0.644
PET-UNK-81b485b5-5
0.639
PET-UNK-81b485b5-19
0.639
PET-UNK-81b485b5-3
0.626
PET-UNK-81b485b5-17
0.626
PET-UNK-81b485b5-16
0.622
PET-UNK-81b485b5-2
0.622
EDJ-MED-37aac4bd-4
0.554
MAT-POS-932d1078-3
0.554
MAT-POS-932d1078-2
0.554
PET-UNK-f9b7ae87-8
0.552
PET-UNK-b38839dc-28
0.552
PET-UNK-b38839dc-20
0.533
PET-UNK-b38839dc-22
0.523
ALP-POS-fe871b40-3
0.519
PET-UNK-ee8352fa-2
0.514
PET-UNK-b38839dc-25
0.509
PET-UNK-a7639856-2
0.505
PET-UNK-a7639856-3
0.482
PET-UNK-5d7c542f-1
0.481
ALP-POS-6f6ae286-3
0.481
MAT-POS-a5ef2d74-2
0.481
MAT-POS-ec6d90b7-4
0.481
EDJ-MED-611d11e7-4
0.481
ALF-EVA-82cf4849-11
0.473
PET-UNK-29afea89-2
0.472
EDJ-MED-d08626de-2
0.472
EDG-MED-0e5afe9d-3
0.472
EDJ-MED-d08626de-1
0.472
PET-UNK-4b4f2bb7-7
0.468
PET-UNK-b78139fa-15
0.462
PET-UNK-5d7c542f-2
0.459
MAT-POS-993cdc78-1
0.459
ALP-POS-fe871b40-11
0.459
MAT-POS-993cdc78-2
0.459
PET-UNK-c0891748-1
0.458
PET-UNK-c0891748-7
0.458
ALP-POS-fe871b40-7
0.458
EDJ-MED-37aac4bd-5
0.458
ALP-POS-93b3621f-4
0.455
PET-UNK-b38839dc-4
0.455
EDJ-MED-611d11e7-7
0.455
MAT-POS-96f51285-1
0.455
MAT-POS-24589f88-1
0.455
PET-UNK-f4e47ebd-19
0.455
PET-UNK-03fd2068-8
0.450
PET-UNK-f4e47ebd-18
0.450
EDG-MED-10fcb19e-2
0.447
PET-UNK-f4e47ebd-22
0.446
PET-UNK-ee8352fa-3
0.446
PET-UNK-03fd2068-7
0.445
EDJ-MED-93390d0c-3
0.442
ALP-POS-93b3621f-3
0.442
PET-UNK-f4e47ebd-23
0.442
PET-UNK-ee8352fa-1
0.441
PET-UNK-329a9ce9-7
0.440
MAT-POS-96f51285-2
0.438
EDJ-MED-611d11e7-1
0.438
MAT-POS-29385cc1-1
0.437
PET-UNK-b38839dc-1
0.437
ALF-EVA-82cf4849-4
0.436
MAT-POS-78e1d523-4
0.435
EDJ-MED-d08626de-4
0.435
MAT-POS-78e1d523-3
0.435
EDJ-MED-37aac4bd-1
0.435
EDJ-MED-d08626de-3
0.435
EDJ-MED-d08626de-5
0.435
EDJ-MED-6bf93aa8-1
0.435
PET-UNK-7bb24635-2
0.435
PET-UNK-f4e47ebd-21
0.432
PET-UNK-09a29654-5
0.432
MIC-UNK-7f86385f-1
0.431
EDJ-MED-1b46f08e-1
0.431
PET-UNK-b38839dc-29
0.430
MAT-POS-a5ef2d74-3
0.427
EDJ-MED-611d11e7-10
0.427
PET-UNK-f4e47ebd-17
0.427
EDJ-MED-93390d0c-4
0.426
ALF-EVA-82cf4849-8
0.426