Molecular Properties | |
SMILES: | COc1cc2c(NC(=O)[C@]3(OC)CN(S(=O)(=O)N(C)C)Cc4ccc(Cl)cc43)cncc2cc1F |
MW: | 522.11 |
Fraction sp3: | 0.3 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 101.07 |
cLogP: | 3.14 |
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-26
0.825
PET-UNK-b38839dc-22
0.821
PET-UNK-b566c0b0-8
0.765
EDJ-MED-cf877e1d-2
0.745
PET-UNK-88d26eaf-1
0.745
PET-UNK-b566c0b0-9
0.743
PET-UNK-c65ea24c-7
0.718
PET-UNK-b38839dc-23
0.663
PET-UNK-c65ea24c-9
0.660
PET-UNK-c65ea24c-12
0.660
PET-UNK-b38839dc-24
0.648
PET-UNK-c65ea24c-8
0.642
PET-UNK-c65ea24c-11
0.632
PET-UNK-c65ea24c-10
0.626
EDJ-MED-841e0cf0-3
0.610
EDJ-MED-670ad2ee-3
0.610
EDJ-MED-923a35c2-5
0.610
PET-UNK-ad758083-2
0.595
PET-UNK-03fd2068-9
0.593
MIC-UNK-ea4eb352-2
0.590
ALP-POS-5290f14d-1
0.590
PET-UNK-9bf1291a-1
0.590
PET-UNK-f4e47ebd-27
0.583
PET-UNK-757f8bc8-4
0.577
PET-UNK-f4e47ebd-26
0.573
PET-UNK-c65ea24c-1
0.573
PET-UNK-0d6841fa-2
0.570
PET-UNK-b38839dc-19
0.570
EDJ-MED-923a35c2-1
0.569
FRA-DIA-6238d354-1
0.569
PET-UNK-b38839dc-10
0.568
PET-UNK-f4e47ebd-24
0.556
PET-UNK-f4e47ebd-25
0.556
PET-UNK-757f8bc8-3
0.554
PET-UNK-6da3dcd8-5
0.552
PET-UNK-6da3dcd8-15
0.546
PET-UNK-757f8bc8-2
0.534
PET-UNK-c65ea24c-6
0.532
PET-UNK-f9b7ae87-8
0.532
PET-UNK-b38839dc-28
0.532
PET-UNK-757f8bc8-1
0.530
PET-UNK-6da3dcd8-18
0.529
PET-UNK-b566c0b0-7
0.526
EDJ-MED-b1cef252-2
0.525
PET-UNK-6da3dcd8-8
0.525
MAT-POS-83a7b0a0-2
0.525
MAT-POS-89bd6af1-2
0.525
PET-UNK-9bf1291a-2
0.523
PET-UNK-c65ea24c-3
0.518
PET-UNK-6da3dcd8-4
0.514
PET-UNK-b38839dc-7
0.513
PET-UNK-81b485b5-21
0.509
PET-UNK-c65ea24c-2
0.509
PET-UNK-81b485b5-7
0.509
PET-UNK-b38839dc-21
0.509
PET-UNK-9bf1291a-4
0.509
PET-UNK-6da3dcd8-14
0.509
PET-UNK-6da3dcd8-13
0.509
PET-UNK-9bf1291a-3
0.505
PET-UNK-c761fc18-2
0.504
PET-UNK-6da3dcd8-3
0.504
EDJ-MED-e9a22d5d-2
0.504
PET-UNK-c761fc18-6
0.500
PET-UNK-c65ea24c-5
0.500
PET-UNK-c65ea24c-13
0.500
PET-UNK-9bf1291a-5
0.496
PET-UNK-ad758083-1
0.491
PET-UNK-bcc8fd08-5
0.491
PET-UNK-c65ea24c-4
0.491
EDJ-MED-b1cef252-1
0.491
MAT-POS-83a7b0a0-1
0.491
MAT-POS-89bd6af1-4
0.491
PET-UNK-329a9ce9-8
0.483
EDJ-MED-841e0cf0-2
0.483
PET-UNK-03fd2068-10
0.483
EDJ-MED-670ad2ee-2
0.483
MIC-UNK-ea4eb352-10
0.483
PET-UNK-bcc8fd08-6
0.479
PET-UNK-329a9ce9-7
0.475
PET-UNK-19e211a9-5
0.472
PET-UNK-9b23ef84-4
0.471
PET-UNK-bcc8fd08-4
0.470
PET-UNK-e9bc7c59-12
0.463
PET-UNK-e9bc7c59-11
0.463
PET-UNK-0d6841fa-1
0.462
PET-UNK-03fd2068-11
0.462
PET-UNK-f4e47ebd-31
0.462
EDJ-MED-923a35c2-2
0.458
PET-UNK-9b23ef84-8
0.458
PET-UNK-9b23ef84-12
0.458
PET-UNK-f4e47ebd-30
0.455
EDJ-MED-841e0cf0-1
0.452
EDJ-MED-670ad2ee-1
0.452
MIC-UNK-ea4eb352-6
0.452
PET-UNK-b38839dc-11
0.450
PET-UNK-a7639856-2
0.449
PET-UNK-b38839dc-20
0.448
PET-UNK-c65ea24c-15
0.447
PET-UNK-c65ea24c-18
0.447
PET-UNK-b78139fa-15
0.446