Molecular Properties | |
SMILES: | O=C(Nc1cncc2cc(F)ccc12)[C@]1(F)CS(=O)(=O)Cc2ccc(Cl)cc21 |
MW: | 422.03 |
Fraction sp3: | 0.16 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 2 |
TPSA: | 76.13 |
cLogP: | 3.76 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
PET-UNK-407a74a5-7
0.733
PET-UNK-b566c0b0-1
0.677
PET-UNK-407a74a5-12
0.660
PET-UNK-6da3dcd8-12
0.598
PET-UNK-407a74a5-16
0.583
PET-UNK-6da3dcd8-14
0.569
PET-UNK-407a74a5-15
0.567
PET-UNK-407a74a5-18
0.551
PET-UNK-b78139fa-14
0.551
PET-UNK-407a74a5-9
0.550
PET-UNK-5d7c542f-1
0.535
ALP-POS-6f6ae286-3
0.535
PET-UNK-6e612674-1
0.529
PET-UNK-6e612674-9
0.529
PET-UNK-6da3dcd8-17
0.527
MAT-POS-c88128cb-13
0.525
PET-UNK-6da3dcd8-20
0.523
EDJ-MED-c3ea9889-6
0.520
PET-UNK-1e13ef09-1
0.520
EDG-MED-b8f93667-3
0.520
PET-UNK-6e612674-5
0.519
PET-UNK-6e612674-13
0.519
ALP-POS-6f6ae286-2
0.515
PET-UNK-4b4f2bb7-5
0.515
PET-UNK-f9b7ae87-5
0.500
PET-UNK-407a74a5-11
0.500
PET-UNK-81b485b5-6
0.500
PET-UNK-81b485b5-20
0.500
PET-UNK-1b92fa34-6
0.500
PET-UNK-6da3dcd8-11
0.495
PET-UNK-03fd2068-9
0.495
JOH-UNI-06d7cc04-1
0.491
PET-UNK-bcc8fd08-3
0.491
PET-UNK-407a74a5-10
0.490
EDG-MED-b8f93667-1
0.482
PET-UNK-6da3dcd8-13
0.482
PET-UNK-407a74a5-13
0.481
PET-UNK-bcc8fd08-6
0.477
PET-UNK-b566c0b0-9
0.477
PET-UNK-1b92fa34-5
0.476
PET-UNK-b566c0b0-5
0.476
JOH-UNI-06346b80-1
0.474
EDG-MED-b8f93667-5
0.473
PET-UNK-407a74a5-14
0.472
EDG-MED-b8f93667-7
0.469
EDJ-MED-3bfd841e-1
0.468
MAT-POS-86c60949-1
0.466
PET-UNK-2c6614b6-5
0.466
PET-UNK-407a74a5-2
0.466
EDJ-MED-b7309adf-1
0.466
PET-UNK-b566c0b0-4
0.462
PET-UNK-03fd2068-8
0.458
EDJ-MED-dac03e7f-6
0.457
PET-UNK-b78139fa-5
0.451
PET-UNK-6da3dcd8-16
0.449
EDJ-MED-dac03e7f-7
0.449
PET-UNK-329a9ce9-7
0.446
PET-UNK-0d6841fa-7
0.445
PET-UNK-6da3dcd8-15
0.445
PET-UNK-6da3dcd8-19
0.445
PET-UNK-6da3dcd8-18
0.442
EDJ-MED-ede277f6-10
0.441
EDJ-MED-dac03e7f-8
0.441
EDJ-MED-dac03e7f-5
0.441
BEN-DND-f06bfa8e-4
0.438
PET-UNK-0d6841fa-6
0.438
PET-UNK-03fd2068-4
0.435
PET-UNK-03fd2068-11
0.434
PET-UNK-03fd2068-1
0.433
JIN-POS-6dc588a4-11
0.432
PET-UNK-329a9ce9-8
0.431
PET-UNK-b566c0b0-6
0.430
BEN-DND-a88ffd65-6
0.429
BEN-DND-a88ffd65-5
0.427
PET-UNK-7279c968-5
0.425
PET-UNK-6da3dcd8-2
0.425
ALP-POS-6f6ae286-1
0.425
BEN-DND-a88ffd65-4
0.424
PET-UNK-c761fc18-4
0.422
PET-UNK-407a74a5-6
0.415
PET-UNK-b566c0b0-3
0.414
PET-UNK-ff046148-2
0.414
LUO-POS-433ce175-1
0.413
EDJ-MED-0186a59b-1
0.412
ALP-POS-6f6ae286-5
0.412
EDJ-MED-7889e8da-1
0.412
BEN-DND-f06bfa8e-2
0.412
PET-UNK-03fd2068-2
0.411
PET-UNK-b566c0b0-2
0.411
PET-UNK-329a9ce9-6
0.409
PET-UNK-6da3dcd8-4
0.405
PET-UNK-1b92fa34-8
0.405
PET-UNK-ff046148-4
0.405
PET-UNK-c761fc18-8
0.404
EDJ-MED-be9e6f63-2
0.403
EDJ-MED-7889e8da-2
0.403
PET-UNK-6e612674-10
0.402
PET-UNK-6e612674-2
0.402
PET-UNK-c671f938-1
0.402
PET-UNK-c671f938-5
0.402