Molecular Properties | |
SMILES: | COc1cc2c(NC(=O)[C@]3(OC)CCOc4ccc(Cl)cc43)cncc2cc1Cl |
MW: | 432.06 |
Fraction sp3: | 0.24 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 69.68 |
cLogP: | 4.81 |
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-19
0.798
EDJ-MED-611d11e7-4
0.696
MAT-POS-a5ef2d74-2
0.696
MAT-POS-ec6d90b7-4
0.696
PET-UNK-ee8352fa-2
0.695
MAT-POS-96f51285-1
0.691
MAT-POS-24589f88-1
0.691
EDJ-MED-611d11e7-7
0.691
PET-UNK-f4e47ebd-19
0.691
EDJ-MED-d08626de-1
0.685
EDG-MED-0e5afe9d-3
0.685
PET-UNK-29afea89-2
0.685
EDJ-MED-d08626de-2
0.685
PET-UNK-f4e47ebd-18
0.684
PET-UNK-a7639856-2
0.680
PET-UNK-ee8352fa-3
0.677
PET-UNK-5d7c542f-2
0.677
PET-UNK-ee8352fa-1
0.674
ALP-POS-6f6ae286-3
0.674
PET-UNK-5d7c542f-1
0.674
EDJ-MED-611d11e7-1
0.667
MAT-POS-96f51285-2
0.667
PET-UNK-f4e47ebd-17
0.660
EDJ-MED-611d11e7-10
0.660
MAT-POS-a5ef2d74-3
0.660
EDG-MED-10fcb19e-3
0.657
EDJ-MED-6bf93aa8-1
0.657
ALF-EVA-82cf4849-11
0.657
ALP-POS-93b3621f-3
0.653
ALP-POS-93b3621f-4
0.653
EDJ-MED-1b46f08e-1
0.650
PET-UNK-a7639856-3
0.647
ALF-EVA-82cf4849-8
0.646
EDG-MED-10fcb19e-5
0.644
PET-UNK-a7639856-1
0.640
EDG-MED-10fcb19e-1
0.640
EDG-MED-10fcb19e-2
0.640
MIC-UNK-7f86385f-1
0.634
ALF-EVA-82cf4849-13
0.634
MIC-UNK-7f86385f-2
0.621
ALF-EVA-82cf4849-12
0.621
PET-UNK-b38839dc-18
0.621
MAR-UCB-fd2e172f-41
0.621
PET-UNK-0df12184-2
0.621
MIC-UNK-7f86385f-3
0.619
MAR-UCB-fd2e172f-31
0.619
PET-UNK-0df12184-5
0.615
MAR-UCB-fd2e172f-24
0.615
MIC-UNK-7f86385f-5
0.613
ALP-POS-5de921e7-1
0.613
PET-UNK-0df12184-1
0.608
MIC-UNK-7f86385f-4
0.604
ALF-EVA-82cf4849-4
0.602
PET-UNK-c761fc18-5
0.598
MAR-UCB-fd2e172f-25
0.598
PET-UNK-0df12184-4
0.598
PET-UNK-0df12184-3
0.592
JOH-UNI-6e27fddc-1
0.586
PET-UNK-c761fc18-1
0.586
MAR-UCB-fd2e172f-20
0.586
MAR-UCB-fd2e172f-13
0.584
MAR-UCB-fd2e172f-43
0.584
MAR-UCB-fd2e172f-28
0.578
PET-UNK-b38839dc-29
0.573
PET-UNK-b38839dc-23
0.571
ALP-POS-e6e0c683-2
0.566
MAR-UCB-fd2e172f-22
0.566
PET-UNK-b38839dc-26
0.565
JOH-UNI-99d163e5-6
0.564
MAR-UCB-fd2e172f-21
0.561
ALP-POS-e6e0c683-1
0.560
MAR-UCB-fd2e172f-27
0.560
MAR-UCB-fd2e172f-29
0.554
EDJ-MED-ee742daa-1
0.551
JOH-UNI-99d163e5-2
0.550
MAR-UCB-fd2e172f-16
0.550
MAR-UCB-fd2e172f-35
0.549
MAR-UCB-fd2e172f-2
0.545
MAR-UCB-fd2e172f-26
0.544
PET-UNK-3bb57da2-3
0.543
MAR-UCB-fd2e172f-14
0.539
MAR-UCB-fd2e172f-36
0.539
MAR-UCB-fd2e172f-34
0.539
MAR-UCB-fd2e172f-12
0.538
MAR-UCB-fd2e172f-18
0.538
ALP-POS-5de921e7-6
0.536
PET-UNK-b38839dc-5
0.534
PET-UNK-03fd2068-7
0.534
PET-UNK-81b485b5-7
0.533
PET-UNK-81b485b5-21
0.533
ALP-POS-5de921e7-2
0.533
ALP-POS-5de921e7-5
0.531
PET-UNK-824b5c6a-1
0.529
PET-UNK-bcc8fd08-2
0.529
PET-UNK-824b5c6a-2
0.528
MAR-UCB-fd2e172f-30
0.528
PET-UNK-824b5c6a-3
0.524
MAR-UCB-fd2e172f-19
0.520
MAR-UCB-6ab2ec87-3
0.520
JOH-UNI-99d163e5-4
0.519