Molecular Properties | |
SMILES: | CO[C@@]1(C(=O)Nc2cncc3cnccc23)CN(S(C)(=O)=O)Cc2cc(F)c(Cl)cc21 |
MW: | 464.07 |
Fraction sp3: | 0.25 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 101.49 |
cLogP: | 2.68 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Hetero_hetero
ALP-POS-ce760d3f-3
MAT-POS-a5ef2d74-1
BEN-DND-4f474d93-1
EDJ-MED-00c1612e-1
EDJ-MED-670ad2ee-2
ADA-UCB-6c2cb422-1
MAT-POS-64942dd0-3
MAT-POS-dd3ad2b5-4
RAL-THA-2d450e86-6
PET-UNK-29afea89-2
EDJ-MED-611d11e7-10
EDJ-MED-611d11e7-12
MAT-POS-a5ef2d74-3
PET-UNK-9bf1291a-1
BEN-DND-4f474d93-2
MAT-POS-a13804f0-3
MAT-POS-b3e365b9-1
MAT-POS-bb423b95-1
MAT-POS-fc9ede84-1
PET-UNK-f4e47ebd-29
0.787
EDJ-MED-841e0cf0-2
0.768
EDJ-MED-670ad2ee-2
0.768
MIC-UNK-ea4eb352-10
0.768
PET-UNK-03fd2068-11
0.753
PET-UNK-f4e47ebd-24
0.745
PET-UNK-03fd2068-10
0.732
PET-UNK-f4e47ebd-30
0.720
EDJ-MED-923a35c2-2
0.710
PET-UNK-f4e47ebd-31
0.700
MIC-UNK-ea4eb352-6
0.614
EDJ-MED-841e0cf0-1
0.614
EDJ-MED-670ad2ee-1
0.614
PET-UNK-f4e47ebd-25
0.577
PET-UNK-03fd2068-9
0.570
ALP-POS-5290f14d-1
0.567
PET-UNK-9bf1291a-1
0.567
MIC-UNK-ea4eb352-2
0.567
PET-UNK-9b23ef84-1
0.562
EDJ-MED-670ad2ee-3
0.557
EDJ-MED-923a35c2-5
0.557
EDJ-MED-841e0cf0-3
0.557
PET-UNK-f4e47ebd-21
0.543
MAT-POS-64942dd0-4
0.538
PET-UNK-b38839dc-22
0.536
PET-UNK-f4e47ebd-26
0.536
PET-UNK-c65ea24c-1
0.536
PET-UNK-f4e47ebd-14
0.523
PET-UNK-b38839dc-23
0.523
EDJ-MED-923a35c2-4
0.519
FRA-DIA-6238d354-1
0.518
EDJ-MED-923a35c2-1
0.518
PET-UNK-f4e47ebd-27
0.518
PET-UNK-9b23ef84-9
0.513
PET-UNK-b566c0b0-5
0.509
PET-UNK-c65ea24c-6
0.509
PET-UNK-9b23ef84-13
0.500
PET-UNK-b78139fa-18
0.500
PET-UNK-9b23ef84-5
0.500
EDJ-MED-923a35c2-3
0.495
PET-UNK-c65ea24c-3
0.495
PET-UNK-b38839dc-21
0.486
PET-UNK-c65ea24c-2
0.486
PET-UNK-c761fc18-6
0.477
PET-UNK-c65ea24c-5
0.477
PET-UNK-f4e47ebd-10
0.472
PET-UNK-b566c0b0-9
0.470
PET-UNK-c761fc18-2
0.469
PET-UNK-c65ea24c-4
0.469
PET-UNK-757f8bc8-3
0.466
PET-UNK-88d26eaf-1
0.465
EDJ-MED-cf877e1d-2
0.465
PET-UNK-1b92fa34-7
0.464
PET-UNK-4b4f2bb7-9
0.464
PET-UNK-757f8bc8-4
0.462
PET-UNK-bcc8fd08-6
0.458
PET-UNK-ad758083-1
0.457
PET-UNK-b566c0b0-8
0.457
PET-UNK-bcc8fd08-4
0.448
PET-UNK-6da3dcd8-18
0.448
PET-UNK-b38839dc-25
0.445
PET-UNK-bcc8fd08-5
0.444
EDJ-MED-b1cef252-2
0.443
PET-UNK-6da3dcd8-5
0.443
PET-UNK-6da3dcd8-8
0.443
MAT-POS-89bd6af1-2
0.443
MAT-POS-83a7b0a0-2
0.443
PET-UNK-c65ea24c-7
0.442
BEN-DND-a02b439d-12
0.441
PET-UNK-0d6841fa-1
0.441
PET-UNK-6da3dcd8-15
0.440
PET-UNK-1b92fa34-8
0.439
PET-UNK-757f8bc8-2
0.438
PET-UNK-757f8bc8-1
0.434
PET-UNK-b38839dc-26
0.430
PET-UNK-9bf1291a-3
0.429
PET-UNK-c65ea24c-12
0.427
PET-UNK-f4e47ebd-13
0.422
MIC-UNK-ea4eb352-11
0.421
NIR-THE-3fc2bec4-1
0.421
ALP-POS-fe871b40-12
0.421
EDJ-MED-670ad2ee-11
0.421
PET-UNK-9bf1291a-2
0.421
EDJ-MED-670ad2ee-12
0.421
EDJ-MED-841e0cf0-8
0.421
PET-UNK-6da3dcd8-2
0.420
EDJ-MED-93390d0c-3
0.419
PET-UNK-6da3dcd8-12
0.417
PET-UNK-f4e47ebd-20
0.417
MIC-UNK-ea4eb352-12
0.416
PET-UNK-c65ea24c-13
0.415
EDJ-MED-946e547c-1
0.412
PET-UNK-9bf1291a-5
0.410
VLA-UNK-a5257d84-1
0.407
MAT-POS-89bd6af1-4
0.405
EDJ-MED-b1cef252-1
0.405
MAT-POS-83a7b0a0-1
0.405
PET-UNK-c65ea24c-8
0.405
PET-UNK-c65ea24c-9
0.403
PET-UNK-6da3dcd8-11
0.400