Molecular Properties | |
SMILES: | O=C(Nc1cncc2ccc(F)cc12)[C@@H]1CS(=O)(=O)Cc2cc(F)c(Cl)cc21 |
MW: | 422.03 |
Fraction sp3: | 0.16 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 2 |
TPSA: | 76.13 |
cLogP: | 3.82 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
PET-UNK-1b92fa34-3
0.756
PET-UNK-1b92fa34-2
0.724
PET-UNK-03fd2068-5
0.592
MAT-POS-64942dd0-2
0.592
MAT-POS-ec6d90b7-7
0.568
MAT-POS-96f51285-5
0.568
EDJ-MED-611d11e7-6
0.568
PET-UNK-b78139fa-7
0.564
PET-UNK-1e13ef09-1
0.535
ALP-POS-e6e0c683-4
0.535
PET-UNK-1e13ef09-2
0.535
PET-UNK-1b92fa34-1
0.526
PET-UNK-329a9ce9-1
0.519
MAR-UCB-6ab2ec87-5
0.516
PET-UNK-1e13ef09-6
0.515
PET-UNK-1b92fa34-8
0.515
PET-UNK-329a9ce9-2
0.514
MAT-POS-ec6d90b7-5
0.505
ALP-UNI-8d415491-6
0.505
PET-UNK-2c6614b6-6
0.505
EDJ-MED-611d11e7-5
0.505
EDJ-MED-1b5395f9-4
0.495
EDJ-MED-1b5395f9-5
0.495
EDJ-MED-1b5395f9-6
0.495
PET-UNK-03fd2068-3
0.485
EDG-MED-5d232de5-2
0.485
ALP-POS-696356e4-1
0.485
ALP-POS-ce760d3f-7
0.485
EDG-MED-5d232de5-1
0.485
ALF-EVA-ced740bd-3
0.484
PET-UNK-329a9ce9-3
0.481
MAT-POS-1a13cd81-1
0.481
PET-UNK-1e13ef09-5
0.480
PET-UNK-329a9ce9-4
0.477
EDJ-MED-841e0cf0-5
0.472
EDJ-MED-841e0cf0-7
0.472
PET-UNK-162c14b2-2
0.472
EDJ-MED-670ad2ee-6
0.472
EDJ-MED-670ad2ee-10
0.472
EDJ-MED-670ad2ee-9
0.472
PET-UNK-1e13ef09-3
0.472
EDJ-MED-670ad2ee-5
0.472
EDJ-MED-670ad2ee-7
0.467
EDJ-MED-841e0cf0-6
0.467
EDJ-MED-670ad2ee-8
0.467
MAT-POS-64942dd0-1
0.463
PET-UNK-1e13ef09-4
0.458
PET-UNK-1b92fa34-6
0.457
PET-UNK-9b23ef84-3
0.457
EDJ-MED-009f762b-5
0.455
MAT-POS-81ae2990-3
0.447
MAT-POS-b4d6b7fc-9
0.443
MAT-POS-81ae2990-9
0.443
PET-UNK-b1ef24dc-19
0.442
PET-UNK-b1ef24dc-20
0.442
EDJ-MED-009f762b-2
0.436
EDJ-MED-009f762b-3
0.436
MAT-POS-61f37a1a-5
0.436
MAT-POS-24589f88-5
0.436
MAT-POS-81ae2990-6
0.436
MAT-POS-64942dd0-3
0.435
EDJ-MED-009f762b-1
0.435
MAT-POS-24589f88-16
0.435
PET-UNK-b1ef24dc-18
0.433
MAT-POS-e119ab4f-2
0.432
MAT-POS-c7726e07-4
0.432
MAT-POS-c7726e07-3
0.432
EDJ-MED-009f762b-4
0.431
MAT-POS-61f37a1a-13
0.431
PET-UNK-03fd2068-10
0.429
PET-UNK-f4e47ebd-13
0.427
PET-UNK-03fd2068-6
0.427
EDJ-MED-611d11e7-9
0.426
MAT-POS-96f51285-3
0.426
MAT-POS-96f51285-4
0.426
EDJ-MED-611d11e7-3
0.426
EDJ-MED-cf877e1d-1
0.423
ALP-POS-d91e0300-1
0.419
RAL-THA-05e671eb-10
0.419
PET-UNK-b1ef24dc-17
0.419
ALP-POS-fe871b40-9
0.419
MAT-POS-a13804f0-2
0.419
MAT-POS-a13804f0-3
0.419
EDJ-MED-923a35c2-4
0.418
PET-UNK-f4e47ebd-5
0.415
MAT-POS-a5ef2d74-1
0.415
PET-UNK-e274cad4-10
0.415
MAT-POS-ec6d90b7-3
0.415
EDJ-MED-611d11e7-12
0.415
PET-UNK-b78139fa-6
0.413
PET-UNK-03fd2068-2
0.411
PET-UNK-b78139fa-5
0.410
PET-UNK-e274cad4-5
0.407
ALP-POS-fe871b40-10
0.406
PET-UNK-b78139fa-16
0.406
ALP-UNI-ba800595-2
0.406
MAT-POS-c88128cb-12
0.404
ALP-POS-fe871b40-15
0.402
PET-UNK-9b23ef84-7
0.402
PET-UNK-9b23ef84-15
0.402