Molecular Properties | |
SMILES: | COc1cc2c(NC(=O)[C@]3(OC)CCOc4ccc(Cl)cc43)cncc2cc1F |
MW: | 416.09 |
Fraction sp3: | 0.24 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 69.68 |
cLogP: | 4.3 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MIC-UNK-ea4eb352-1
ALP-POS-f1807566-3
EDJ-MED-00c1612e-1
ADA-UCB-6c2cb422-1
PET-UNK-7f7e354d-7
MAT-POS-4223bc15-2
JIN-POS-6dc588a4-22
PET-UNK-88d26eaf-1
MAT-POS-24589f88-3
PET-UNK-29afea89-2
MAR-UCB-fd2e172f-41
PET-UNK-9bf1291a-1
MIC-UNK-91acba05-1
MAT-POS-b3e365b9-1
EDJ-MED-b7309adf-2
MIC-UNK-91acba05-3
JIN-POS-6dc588a4-11
PET-UNK-b38839dc-20
0.798
PET-UNK-ee8352fa-2
0.769
PET-UNK-a7639856-2
0.753
EDJ-MED-611d11e7-4
0.733
MAT-POS-ec6d90b7-4
0.733
MAT-POS-a5ef2d74-2
0.733
PET-UNK-a7639856-3
0.714
PET-UNK-5d7c542f-1
0.710
ALP-POS-6f6ae286-3
0.710
EDG-MED-0e5afe9d-3
0.703
EDJ-MED-d08626de-2
0.703
PET-UNK-29afea89-2
0.703
EDJ-MED-d08626de-1
0.703
MAT-POS-24589f88-1
0.691
MAT-POS-96f51285-1
0.691
PET-UNK-f4e47ebd-19
0.691
EDJ-MED-611d11e7-7
0.691
ALF-EVA-82cf4849-11
0.691
PET-UNK-f4e47ebd-18
0.684
PET-UNK-ee8352fa-3
0.677
PET-UNK-81b485b5-21
0.677
PET-UNK-5d7c542f-2
0.677
PET-UNK-81b485b5-7
0.677
PET-UNK-ee8352fa-1
0.674
ALP-POS-93b3621f-4
0.670
ALP-POS-93b3621f-3
0.670
EDJ-MED-611d11e7-1
0.667
MAT-POS-96f51285-2
0.667
MAT-POS-a5ef2d74-3
0.660
EDJ-MED-611d11e7-10
0.660
PET-UNK-f4e47ebd-17
0.660
EDG-MED-10fcb19e-2
0.657
ALF-EVA-82cf4849-8
0.646
EDG-MED-10fcb19e-1
0.640
EDG-MED-10fcb19e-3
0.640
EDJ-MED-6bf93aa8-1
0.640
PET-UNK-a7639856-1
0.640
MAR-UCB-fd2e172f-31
0.635
ALF-EVA-82cf4849-13
0.634
MIC-UNK-7f86385f-1
0.634
EDJ-MED-1b46f08e-1
0.634
MAR-UCB-fd2e172f-24
0.632
PET-UNK-0df12184-5
0.632
EDG-MED-10fcb19e-5
0.627
MIC-UNK-7f86385f-2
0.621
ALF-EVA-82cf4849-12
0.621
MAR-UCB-fd2e172f-41
0.621
PET-UNK-b38839dc-18
0.621
PET-UNK-0df12184-2
0.621
ALF-EVA-82cf4849-4
0.619
PET-UNK-0df12184-1
0.608
MIC-UNK-7f86385f-4
0.604
MIC-UNK-7f86385f-3
0.604
PET-UNK-c761fc18-1
0.602
MAR-UCB-fd2e172f-13
0.600
MIC-UNK-7f86385f-5
0.598
PET-UNK-c761fc18-5
0.598
MAR-UCB-fd2e172f-25
0.598
PET-UNK-0df12184-4
0.598
ALP-POS-5de921e7-1
0.596
PET-UNK-0df12184-3
0.592
JOH-UNI-6e27fddc-1
0.586
MAR-UCB-fd2e172f-20
0.586
MAR-UCB-fd2e172f-43
0.584
JOH-UNI-99d163e5-2
0.582
JOH-UNI-99d163e5-6
0.580
MAR-UCB-fd2e172f-28
0.578
PET-UNK-b38839dc-28
0.573
PET-UNK-f9b7ae87-8
0.573
PET-UNK-b38839dc-22
0.571
PET-UNK-b38839dc-25
0.570
EDJ-MED-ee742daa-1
0.567
ALP-POS-e6e0c683-2
0.566
MAR-UCB-fd2e172f-21
0.561
MAR-UCB-fd2e172f-27
0.560
PET-UNK-bcc8fd08-2
0.559
PET-UNK-3bb57da2-3
0.558
MAR-UCB-fd2e172f-19
0.551
MAR-UCB-fd2e172f-22
0.550
JOH-UNI-99d163e5-4
0.549
DAR-DIA-e7614d05-2
0.549
ALP-POS-93b3621f-1
0.549
DAR-DIA-e7614d05-3
0.549
DAR-DIA-e7614d05-1
0.549
PET-UNK-03fd2068-7
0.549
MAR-UCB-fd2e172f-2
0.545
ALP-POS-e6e0c683-1
0.545
PET-UNK-b38839dc-4
0.544
PET-UNK-824b5c6a-1
0.544
PET-UNK-10c83c8b-1
0.544
PET-UNK-bcc8fd08-3
0.543
MAR-UCB-fd2e172f-29
0.539
MAR-UCB-fd2e172f-36
0.539
MAR-UCB-fd2e172f-40
0.539
MAR-UCB-fd2e172f-14
0.539
MAR-UCB-fd2e172f-34
0.539
PET-UNK-824b5c6a-3
0.538
ALP-POS-5de921e7-6
0.536
MAR-UCB-6ab2ec87-3
0.535
MAR-UCB-fd2e172f-16
0.535