Molecular Properties | |
SMILES: | CO[C@@]1(C(=O)Nc2cncc3cc(F)ccc23)CN(S(C)(=O)=O)Cc2cc(F)c(Cl)cc21 |
MW: | 481.07 |
Fraction sp3: | 0.24 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 88.6 |
cLogP: | 3.42 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Hetero_hetero
EDJ-MED-841e0cf0-2
0.771
EDJ-MED-670ad2ee-2
0.771
PET-UNK-03fd2068-9
0.771
PET-UNK-03fd2068-10
0.771
MIC-UNK-ea4eb352-10
0.771
PET-UNK-f4e47ebd-28
0.753
PET-UNK-f4e47ebd-31
0.737
PET-UNK-f4e47ebd-29
0.717
EDJ-MED-923a35c2-2
0.696
PET-UNK-f4e47ebd-30
0.673
PET-UNK-b566c0b0-9
0.642
PET-UNK-bcc8fd08-6
0.626
EDJ-MED-670ad2ee-1
0.618
EDJ-MED-841e0cf0-1
0.618
MIC-UNK-ea4eb352-6
0.618
PET-UNK-6da3dcd8-18
0.605
PET-UNK-c65ea24c-1
0.598
PET-UNK-6da3dcd8-15
0.596
EDJ-MED-923a35c2-5
0.590
EDJ-MED-841e0cf0-3
0.590
EDJ-MED-670ad2ee-3
0.590
PET-UNK-6da3dcd8-12
0.571
PET-UNK-9bf1291a-1
0.571
MIC-UNK-ea4eb352-2
0.571
ALP-POS-5290f14d-1
0.571
PET-UNK-9b23ef84-1
0.566
PET-UNK-6da3dcd8-11
0.560
PET-UNK-b38839dc-22
0.555
PET-UNK-f4e47ebd-24
0.551
PET-UNK-03fd2068-8
0.551
EDJ-MED-923a35c2-4
0.551
PET-UNK-f4e47ebd-27
0.550
MAT-POS-64942dd0-4
0.542
PET-UNK-6e612674-5
0.541
PET-UNK-6e612674-13
0.541
PET-UNK-b38839dc-23
0.541
PET-UNK-b566c0b0-1
0.537
PET-UNK-03fd2068-6
0.532
PET-UNK-b78139fa-14
0.528
PET-UNK-f4e47ebd-25
0.523
PET-UNK-5d7c542f-1
0.514
ALP-POS-6f6ae286-3
0.514
EDJ-MED-923a35c2-1
0.509
FRA-DIA-6238d354-1
0.509
PET-UNK-6da3dcd8-13
0.504
PET-UNK-9b23ef84-13
0.504
PET-UNK-9b23ef84-9
0.504
PET-UNK-9b23ef84-5
0.504
PET-UNK-f4e47ebd-26
0.500
PET-UNK-03fd2068-4
0.500
PET-UNK-c65ea24c-6
0.500
PET-UNK-c65ea24c-7
0.496
PET-UNK-81b485b5-20
0.495
PET-UNK-6e612674-1
0.495
PET-UNK-6e612674-9
0.495
PET-UNK-f9b7ae87-5
0.495
PET-UNK-81b485b5-6
0.495
ALP-POS-6f6ae286-2
0.495
PET-UNK-4b4f2bb7-5
0.495
PET-UNK-6da3dcd8-14
0.491
PET-UNK-c65ea24c-2
0.491
PET-UNK-b566c0b0-8
0.487
EDJ-MED-923a35c2-3
0.487
PET-UNK-c65ea24c-3
0.486
PET-UNK-b38839dc-21
0.478
PET-UNK-bcc8fd08-5
0.474
PET-UNK-c761fc18-2
0.474
PET-UNK-c65ea24c-4
0.474
PET-UNK-757f8bc8-3
0.470
PET-UNK-c65ea24c-13
0.470
EDJ-MED-cf877e1d-2
0.470
PET-UNK-88d26eaf-1
0.470
PET-UNK-1b92fa34-7
0.469
PET-UNK-c761fc18-6
0.469
PET-UNK-c65ea24c-5
0.469
PET-UNK-1b92fa34-8
0.469
PET-UNK-6da3dcd8-20
0.467
PET-UNK-bcc8fd08-4
0.466
PET-UNK-b38839dc-25
0.462
PET-UNK-ad758083-1
0.462
EDJ-MED-93390d0c-3
0.461
BEN-DND-a02b439d-12
0.459
PET-UNK-6da3dcd8-17
0.459
PET-UNK-6da3dcd8-19
0.456
PET-UNK-757f8bc8-4
0.454
EDJ-MED-841e0cf0-8
0.451
PET-UNK-9bf1291a-2
0.451
EDJ-MED-670ad2ee-12
0.451
EDJ-MED-670ad2ee-11
0.451
PET-UNK-bcc8fd08-3
0.448
PET-UNK-6da3dcd8-16
0.448
PET-UNK-6da3dcd8-5
0.447
EDJ-MED-b1cef252-2
0.447
MAT-POS-89bd6af1-2
0.447
PET-UNK-6da3dcd8-8
0.447
MAT-POS-83a7b0a0-2
0.447
PET-UNK-b38839dc-26
0.446
PET-UNK-0d6841fa-1
0.445
PET-UNK-757f8bc8-2
0.443
EDG-MED-b8f93667-1
0.443