Molecular Properties | |
SMILES: | COc1cc2cncc(NC(=O)[C@]3(OC)CCOc4c(F)cc(Cl)cc43)c2cn1 |
MW: | 417.09 |
Fraction sp3: | 0.25 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 82.57 |
cLogP: | 3.69 |
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-81b485b5-14
1.000
PET-UNK-81b485b5-13
0.755
PET-UNK-81b485b5-27
0.755
PET-UNK-81b485b5-6
0.723
PET-UNK-81b485b5-20
0.723
PET-UNK-81b485b5-21
0.716
PET-UNK-81b485b5-7
0.716
PET-UNK-81b485b5-1
0.684
PET-UNK-81b485b5-15
0.684
PET-UNK-81b485b5-8
0.684
PET-UNK-81b485b5-22
0.684
PET-UNK-81b485b5-4
0.677
PET-UNK-81b485b5-18
0.677
PET-UNK-81b485b5-10
0.663
PET-UNK-81b485b5-24
0.663
PET-UNK-f4e47ebd-19
0.660
PET-UNK-f4e47ebd-22
0.646
PET-UNK-81b485b5-12
0.637
PET-UNK-81b485b5-26
0.637
PET-UNK-81b485b5-5
0.633
PET-UNK-81b485b5-19
0.633
PET-UNK-81b485b5-9
0.619
PET-UNK-81b485b5-23
0.619
PET-UNK-81b485b5-16
0.616
PET-UNK-81b485b5-2
0.616
PET-UNK-81b485b5-11
0.607
PET-UNK-81b485b5-25
0.607
PET-UNK-81b485b5-3
0.604
PET-UNK-81b485b5-17
0.604
PET-UNK-b566c0b0-4
0.578
PET-UNK-4b4f2bb7-3
0.567
PET-UNK-b78139fa-12
0.564
MAT-POS-932d1078-3
0.519
MAT-POS-932d1078-2
0.519
EDJ-MED-37aac4bd-4
0.519
PET-UNK-f4e47ebd-27
0.514
PET-UNK-f4e47ebd-31
0.500
PET-UNK-5d7c542f-1
0.491
ALP-POS-6f6ae286-3
0.491
ALP-POS-fe871b40-3
0.486
PET-UNK-f4e47ebd-18
0.486
PET-UNK-f4e47ebd-23
0.477
PET-UNK-b38839dc-19
0.473
PET-UNK-f4e47ebd-8
0.468
PET-UNK-03fd2068-8
0.459
PET-UNK-ee8352fa-2
0.455
EDJ-MED-37aac4bd-5
0.454
PET-UNK-c0891748-1
0.454
PET-UNK-c0891748-7
0.454
ALP-POS-fe871b40-7
0.454
ALP-POS-93b3621f-4
0.451
EDJ-MED-611d11e7-4
0.450
MAT-POS-a5ef2d74-2
0.450
MAT-POS-ec6d90b7-4
0.450
PET-UNK-a7639856-2
0.447
PET-UNK-b38839dc-20
0.446
PET-UNK-5d7c542f-2
0.442
PET-UNK-f4e47ebd-4
0.441
PET-UNK-29afea89-2
0.440
EDJ-MED-d08626de-2
0.440
EDG-MED-0e5afe9d-3
0.440
EDJ-MED-d08626de-1
0.440
EDJ-MED-93390d0c-3
0.439
MAT-POS-a5ef2d74-3
0.436
EDJ-MED-611d11e7-10
0.436
PET-UNK-f4e47ebd-17
0.436
PET-UNK-b566c0b0-1
0.434
PET-UNK-b78139fa-3
0.432
EDJ-MED-6bf93aa8-1
0.431
EDG-MED-10fcb19e-2
0.431
PET-UNK-b566c0b0-3
0.430
PET-UNK-ee8352fa-3
0.430
MAT-POS-993cdc78-1
0.429
PET-UNK-f4e47ebd-21
0.429
PET-UNK-a7639856-3
0.429
ALP-POS-fe871b40-11
0.429
MAT-POS-993cdc78-2
0.429
MIC-UNK-7f86385f-1
0.427
EDJ-MED-1b46f08e-1
0.427
PET-UNK-0df12184-5
0.427
MAR-UCB-fd2e172f-24
0.427
PET-UNK-f4e47ebd-20
0.425
EDJ-MED-611d11e7-7
0.425
MAT-POS-96f51285-1
0.425
MAT-POS-24589f88-1
0.425
PET-UNK-0df12184-1
0.423
EDJ-MED-ee742daa-3
0.422
MIC-UNK-7f86385f-3
0.421
MIC-UNK-7f86385f-4
0.421
PET-UNK-1e13ef09-4
0.421
PET-UNK-4b4f2bb7-5
0.421
ALP-POS-6f6ae286-2
0.421
MIC-UNK-7f86385f-2
0.420
ALF-EVA-82cf4849-11
0.419
MIC-UNK-7f86385f-5
0.418
PET-UNK-03fd2068-7
0.416
ALP-POS-93b3621f-3
0.414
PET-UNK-4b4f2bb7-2
0.414
PET-UNK-f4e47ebd-2
0.413
PET-UNK-4b4f2bb7-7
0.412