Molecular Properties | |
SMILES: | O=C(Nc1cncc2cc(F)ccc12)[C@@H]1CCS(=O)(=O)c2cc(Cl)c(Cl)cc21 |
MW: | 438.0 |
Fraction sp3: | 0.16 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 2 |
TPSA: | 76.13 |
cLogP: | 4.58 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activated haloaromatics
MIC-UNK-8758c41d-1
0.726
MAT-POS-86c60949-1
0.724
EDJ-MED-b7309adf-1
0.724
PET-UNK-2c6614b6-5
0.724
BEN-DND-f06bfa8e-1
0.585
BEN-DND-f06bfa8e-5
0.582
EDJ-MED-b7309adf-2
0.582
PET-UNK-b78139fa-5
0.581
PET-UNK-2c6614b6-7
0.552
BEN-DND-0ac71396-1
0.551
PET-UNK-03fd2068-2
0.546
PET-UNK-03fd2068-1
0.542
PET-UNK-2c6614b6-6
0.542
ALP-POS-6f6ae286-7
0.535
EDG-MED-f9979214-2
0.535
EDJ-MED-93390d0c-2
0.530
BEN-DND-0ac71396-2
0.520
EDG-MED-f9979214-1
0.515
MAT-POS-66a736cf-1
0.510
LUO-POS-868e8996-13
0.510
MIC-UNK-91acba05-3
0.510
LUO-POS-868e8996-14
0.510
PET-UNK-7bb24635-5
0.505
EDJ-MED-94fddcec-1
0.505
PET-UNK-03fd2068-6
0.500
PET-UNK-b38839dc-16
0.500
PET-UNK-2c6614b6-3
0.495
PET-UNK-1e13ef09-1
0.495
PET-UNK-b38839dc-17
0.490
PET-UNK-2c6614b6-9
0.490
PET-UNK-09a29654-2
0.486
PET-UNK-09a29654-3
0.473
PET-UNK-7279c968-5
0.471
EDJ-MED-94fddcec-2
0.471
ALP-POS-6f6ae286-1
0.471
EDJ-MED-e69ed63d-7
0.468
EDJ-MED-0186a59b-5
0.468
MAT-POS-e119ab4f-1
0.468
MAT-POS-c7726e07-1
0.468
MAT-POS-c7726e07-2
0.468
PET-UNK-7bb24635-6
0.467
PET-UNK-03fd2068-4
0.467
PET-UNK-407a74a5-16
0.466
PET-UNK-2c6614b6-8
0.465
ALP-POS-6f6ae286-2
0.462
PET-UNK-4b4f2bb7-5
0.462
BEN-DND-a88ffd65-6
0.461
PET-UNK-c671f938-5
0.458
PET-UNK-c671f938-1
0.458
PET-UNK-7bb24635-4
0.457
EDJ-MED-93390d0c-1
0.457
EDJ-MED-e69ed63d-11
0.455
PET-UNK-2c6614b6-2
0.453
PET-UNK-b78139fa-14
0.452
EDJ-MED-e69ed63d-1
0.451
EDJ-MED-e69ed63d-3
0.451
PET-UNK-7f7e354d-3
0.451
BEN-DND-f06bfa8e-6
0.446
EDJ-MED-ede277f6-10
0.444
EDJ-MED-e69ed63d-9
0.443
EDJ-MED-e69ed63d-13
0.443
EDJ-MED-e69ed63d-15
0.443
BEN-DND-f06bfa8e-2
0.441
EDJ-MED-0186a59b-1
0.441
ALP-POS-6f6ae286-5
0.441
EDJ-MED-7889e8da-1
0.441
PET-UNK-b1ef24dc-16
0.441
EDJ-MED-d9f3798e-3
0.440
PET-UNK-407a74a5-17
0.438
ALF-EVA-b701bd13-2
0.438
PET-UNK-407a74a5-11
0.435
PET-UNK-ff046148-4
0.434
PET-UNK-09a29654-1
0.432
PET-UNK-b78139fa-7
0.431
PET-UNK-b78139fa-6
0.431
EDJ-MED-e69ed63d-17
0.431
EDJ-MED-e69ed63d-6
0.431
MAT-POS-c88128cb-13
0.430
BEN-DND-a88ffd65-4
0.429
ALF-EVA-82cf4849-6
0.429
MIC-UNK-54748b58-3
0.427
PET-UNK-b38839dc-15
0.427
EDJ-MED-ede277f6-7
0.426
EDG-MED-b8f93667-3
0.426
PET-UNK-2c6614b6-1
0.425
ALF-EVA-82cf4849-7
0.425
PET-UNK-b1ef24dc-15
0.423
EDJ-MED-611d11e7-5
0.423
MAT-POS-ec6d90b7-5
0.423
EDJ-MED-94fddcec-3
0.423
ALP-UNI-8d415491-6
0.423
EDJ-MED-ede277f6-4
0.422
JIN-POS-6dc588a4-11
0.421
PET-UNK-2c6614b6-4
0.419
PET-UNK-b1ef24dc-14
0.419
PET-UNK-ff046148-3
0.419
PET-UNK-ff046148-2
0.417
EDJ-MED-f9b78f78-5
0.416
PET-UNK-3324058f-1
0.415
PET-UNK-3324058f-5
0.415