Molecular Properties | |
SMILES: | COc1cc2c(NC(=O)[C@]3(OC)CN(S(C)(=O)=O)Cc4cc(F)c(Cl)cc43)cncc2cn1 |
MW: | 494.08 |
Fraction sp3: | 0.29 |
HBA: | 7 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 110.72 |
cLogP: | 2.69 |
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-31
0.776
PET-UNK-f4e47ebd-26
0.747
PET-UNK-f4e47ebd-28
0.720
PET-UNK-03fd2068-10
0.720
MIC-UNK-ea4eb352-10
0.703
EDJ-MED-841e0cf0-2
0.703
EDJ-MED-670ad2ee-2
0.703
EDJ-MED-923a35c2-2
0.699
PET-UNK-f4e47ebd-29
0.686
PET-UNK-03fd2068-11
0.673
PET-UNK-f4e47ebd-27
0.569
EDJ-MED-841e0cf0-1
0.561
EDJ-MED-670ad2ee-1
0.561
MIC-UNK-ea4eb352-6
0.561
PET-UNK-f4e47ebd-23
0.560
PET-UNK-f4e47ebd-15
0.559
EDJ-MED-841e0cf0-3
0.550
EDJ-MED-670ad2ee-3
0.550
EDJ-MED-923a35c2-5
0.550
PET-UNK-b38839dc-22
0.545
PET-UNK-b38839dc-23
0.531
PET-UNK-f4e47ebd-24
0.527
PET-UNK-b566c0b0-3
0.523
PET-UNK-9bf1291a-1
0.518
ALP-POS-5290f14d-1
0.518
MIC-UNK-ea4eb352-2
0.518
PET-UNK-b78139fa-11
0.514
EDJ-MED-923a35c2-4
0.514
PET-UNK-9b23ef84-1
0.514
FRA-DIA-6238d354-1
0.513
EDJ-MED-923a35c2-1
0.513
PET-UNK-03fd2068-9
0.509
PET-UNK-f4e47ebd-11
0.504
PET-UNK-f4e47ebd-25
0.500
PET-UNK-81b485b5-27
0.500
PET-UNK-81b485b5-13
0.500
PET-UNK-f4e47ebd-18
0.500
PET-UNK-c65ea24c-1
0.491
EDJ-MED-923a35c2-3
0.491
MAT-POS-64942dd0-4
0.491
PET-UNK-f9b7ae87-6
0.478
PET-UNK-4b4f2bb7-2
0.478
PET-UNK-c65ea24c-6
0.478
PET-UNK-9b23ef84-9
0.472
PET-UNK-9b23ef84-13
0.472
PET-UNK-c65ea24c-3
0.465
PET-UNK-9b23ef84-5
0.460
PET-UNK-c65ea24c-2
0.457
PET-UNK-b38839dc-21
0.457
PET-UNK-b38839dc-25
0.455
PET-UNK-b566c0b0-8
0.454
PET-UNK-c761fc18-2
0.453
PET-UNK-c761fc18-6
0.448
PET-UNK-c65ea24c-5
0.448
PET-UNK-bcc8fd08-5
0.442
PET-UNK-f4e47ebd-16
0.442
PET-UNK-c65ea24c-4
0.441
PET-UNK-b38839dc-26
0.439
PET-UNK-1b92fa34-8
0.436
PET-UNK-f4e47ebd-7
0.432
PET-UNK-19e211a9-7
0.426
PET-UNK-757f8bc8-3
0.426
EDJ-MED-cf877e1d-2
0.425
PET-UNK-88d26eaf-1
0.425
PET-UNK-1b92fa34-7
0.424
PET-UNK-f4e47ebd-22
0.420
PET-UNK-b566c0b0-9
0.419
EDJ-MED-670ad2ee-11
0.419
EDJ-MED-841e0cf0-8
0.419
EDJ-MED-670ad2ee-12
0.419
PET-UNK-9bf1291a-2
0.419
PET-UNK-ad758083-1
0.418
PET-UNK-0d6841fa-1
0.415
PET-UNK-757f8bc8-4
0.411
PET-UNK-bcc8fd08-4
0.410
PET-UNK-bcc8fd08-6
0.408
PET-UNK-6da3dcd8-5
0.406
EDJ-MED-b1cef252-2
0.406
PET-UNK-6da3dcd8-8
0.406
MAT-POS-89bd6af1-2
0.406
MAT-POS-83a7b0a0-2
0.406
PET-UNK-c65ea24c-7
0.405
BEN-DND-a02b439d-12
0.402
PET-UNK-c65ea24c-12
0.402
PET-UNK-757f8bc8-2
0.402
PET-UNK-6da3dcd8-18
0.402
PET-UNK-1e13ef09-3
0.400
PET-UNK-757f8bc8-1
0.398
PET-UNK-9bf1291a-4
0.398
PET-UNK-f4e47ebd-12
0.397
PET-UNK-6da3dcd8-15
0.394
PET-UNK-e9bc7c59-11
0.394
PET-UNK-b566c0b0-4
0.392
PET-UNK-f4e47ebd-1
0.391
EDJ-MED-93390d0c-4
0.390
PET-UNK-9bf1291a-3
0.390
EDJ-MED-946e547c-1
0.387
PET-UNK-b78139fa-2
0.387
EDJ-MED-841e0cf0-4
0.383
EDJ-MED-670ad2ee-4
0.383