Molecular Properties | |
SMILES: | COc1cc2c(NC(=O)[C@]3(OC)CN(S(C)(=O)=O)Cc4ccc(Cl)cc43)cncc2cc1F |
MW: | 493.09 |
Fraction sp3: | 0.27 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 97.83 |
cLogP: | 3.29 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Hetero_hetero
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-25
0.821
PET-UNK-b38839dc-23
0.809
EDJ-MED-923a35c2-5
0.747
EDJ-MED-841e0cf0-3
0.747
EDJ-MED-670ad2ee-3
0.747
PET-UNK-9bf1291a-1
0.726
MIC-UNK-ea4eb352-2
0.726
ALP-POS-5290f14d-1
0.726
PET-UNK-03fd2068-9
0.724
PET-UNK-f4e47ebd-27
0.714
PET-UNK-f4e47ebd-26
0.700
PET-UNK-c65ea24c-1
0.700
EDJ-MED-923a35c2-1
0.697
FRA-DIA-6238d354-1
0.697
PET-UNK-f4e47ebd-24
0.684
PET-UNK-f4e47ebd-25
0.684
PET-UNK-b38839dc-26
0.673
PET-UNK-c65ea24c-6
0.657
PET-UNK-c65ea24c-3
0.640
PET-UNK-c65ea24c-2
0.627
PET-UNK-b38839dc-21
0.627
PET-UNK-c761fc18-2
0.621
PET-UNK-b566c0b0-8
0.619
PET-UNK-c761fc18-6
0.618
PET-UNK-c65ea24c-5
0.618
PET-UNK-c65ea24c-4
0.606
PET-UNK-b566c0b0-9
0.602
PET-UNK-88d26eaf-1
0.600
EDJ-MED-cf877e1d-2
0.600
PET-UNK-ad758083-1
0.589
PET-UNK-bcc8fd08-5
0.589
PET-UNK-b38839dc-7
0.585
PET-UNK-c65ea24c-7
0.582
PET-UNK-03fd2068-10
0.579
EDJ-MED-841e0cf0-2
0.579
EDJ-MED-670ad2ee-2
0.579
MIC-UNK-ea4eb352-10
0.579
PET-UNK-bcc8fd08-6
0.573
PET-UNK-b38839dc-19
0.571
PET-UNK-757f8bc8-3
0.569
PET-UNK-6da3dcd8-5
0.566
PET-UNK-bcc8fd08-4
0.565
PET-UNK-757f8bc8-4
0.564
PET-UNK-6da3dcd8-15
0.560
PET-UNK-6da3dcd8-18
0.556
PET-UNK-f4e47ebd-31
0.555
PET-UNK-03fd2068-11
0.555
PET-UNK-0d6841fa-1
0.555
MAT-POS-89bd6af1-2
0.553
EDJ-MED-b1cef252-2
0.553
PET-UNK-6da3dcd8-8
0.553
MAT-POS-83a7b0a0-2
0.553
EDJ-MED-923a35c2-2
0.550
PET-UNK-757f8bc8-2
0.549
EDJ-MED-670ad2ee-1
0.547
MIC-UNK-ea4eb352-6
0.547
EDJ-MED-841e0cf0-1
0.547
PET-UNK-b38839dc-28
0.546
PET-UNK-f9b7ae87-8
0.546
PET-UNK-f4e47ebd-30
0.545
PET-UNK-757f8bc8-1
0.544
PET-UNK-c65ea24c-12
0.541
PET-UNK-9bf1291a-2
0.538
PET-UNK-f4e47ebd-29
0.536
PET-UNK-f4e47ebd-28
0.536
PET-UNK-c65ea24c-9
0.527
PET-UNK-b38839dc-10
0.527
PET-UNK-c65ea24c-8
0.527
PET-UNK-81b485b5-7
0.523
PET-UNK-81b485b5-21
0.523
PET-UNK-9bf1291a-4
0.523
PET-UNK-9bf1291a-3
0.519
PET-UNK-c65ea24c-11
0.518
PET-UNK-b38839dc-24
0.518
PET-UNK-c65ea24c-13
0.514
PET-UNK-9bf1291a-5
0.509
EDJ-MED-b1cef252-1
0.505
MAT-POS-83a7b0a0-1
0.505
MAT-POS-89bd6af1-4
0.505
EDJ-MED-e9a22d5d-2
0.504
PET-UNK-c65ea24c-10
0.500
PET-UNK-ad758083-2
0.500
PET-UNK-329a9ce9-7
0.500
PET-UNK-6da3dcd8-2
0.495
PET-UNK-6da3dcd8-12
0.491
PET-UNK-e9bc7c59-11
0.487
PET-UNK-19e211a9-5
0.484
PET-UNK-329a9ce9-8
0.483
PET-UNK-6da3dcd8-11
0.482
PET-UNK-0d6841fa-2
0.479
PET-UNK-6da3dcd8-1
0.477
PET-UNK-c65ea24c-18
0.473
PET-UNK-9b23ef84-4
0.470
PET-UNK-9b23ef84-8
0.470
PET-UNK-9b23ef84-12
0.470
EDJ-MED-841e0cf0-4
0.468
EDJ-MED-670ad2ee-4
0.468
JOH-UNI-e398da21-2
0.464
MIC-UNK-6e9f8a43-1
0.464
PET-UNK-e9bc7c59-12
0.463