Molecular Properties | |
SMILES: | O=C(Nc1cncc2cc(F)ccc12)[C@@H]1CS(=O)(=O)c2ccc(Cl)cc21 |
MW: | 390.02 |
Fraction sp3: | 0.11 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 2 |
TPSA: | 76.13 |
cLogP: | 3.54 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Activated haloaromatics
PET-UNK-b78139fa-6
0.744
PET-UNK-b78139fa-7
0.744
EDJ-MED-b7309adf-1
0.729
PET-UNK-2c6614b6-5
0.729
MAT-POS-86c60949-1
0.729
PET-UNK-022eab87-1
0.707
PET-UNK-b78139fa-9
0.687
PET-UNK-b78139fa-3
0.656
PET-UNK-1e13ef09-1
0.644
PET-UNK-b78139fa-8
0.644
PET-UNK-b1ef24dc-24
0.614
PET-UNK-b78139fa-2
0.602
PET-UNK-b1ef24dc-22
0.596
PET-UNK-b1ef24dc-23
0.589
PET-UNK-7279c968-5
0.581
ALP-POS-6f6ae286-1
0.581
BEN-DND-f06bfa8e-4
0.581
PET-UNK-b1ef24dc-21
0.578
PET-UNK-b78139fa-1
0.576
PET-UNK-03fd2068-1
0.576
PET-UNK-b78139fa-4
0.571
BEN-DND-f06bfa8e-5
0.567
EDJ-MED-b7309adf-2
0.567
BEN-DND-0ac71396-1
0.552
PET-UNK-2c6614b6-6
0.543
PET-UNK-03fd2068-4
0.541
PET-UNK-2c6614b6-7
0.537
PET-UNK-c671f938-5
0.530
PET-UNK-c671f938-1
0.530
EDJ-MED-f9b78f78-5
0.522
ALP-POS-6f6ae286-7
0.520
EDG-MED-f9979214-2
0.520
BEN-DND-0ac71396-2
0.520
EDJ-MED-93390d0c-2
0.515
MIC-UNK-91acba05-3
0.511
LUO-POS-868e8996-13
0.511
MAT-POS-66a736cf-1
0.511
LUO-POS-868e8996-14
0.511
PET-UNK-407a74a5-16
0.510
BEN-DND-f06bfa8e-2
0.510
MAT-POS-e119ab4f-1
0.510
MAT-POS-c7726e07-1
0.510
MAT-POS-c7726e07-2
0.510
EDJ-MED-7889e8da-1
0.510
EDJ-MED-0186a59b-5
0.510
EDJ-MED-0186a59b-1
0.510
ALP-POS-6f6ae286-5
0.510
BEN-DND-a88ffd65-6
0.505
BEN-DND-f06bfa8e-1
0.505
EDJ-MED-94fddcec-1
0.505
EDG-MED-f9979214-1
0.500
PET-UNK-ff046148-4
0.500
PET-UNK-03fd2068-2
0.500
EDJ-MED-ede277f6-10
0.495
EDJ-MED-e69ed63d-17
0.495
EDJ-MED-e69ed63d-11
0.495
PET-UNK-ff046148-2
0.495
EDJ-MED-e69ed63d-7
0.495
PET-UNK-b78139fa-14
0.495
PET-UNK-3324058f-5
0.491
PET-UNK-3324058f-1
0.491
EDJ-MED-e69ed63d-3
0.491
ALP-POS-6f6ae286-6
0.491
BEN-DND-f06bfa8e-3
0.491
EDJ-MED-ede277f6-7
0.491
EDJ-MED-e69ed63d-1
0.491
PET-UNK-7bb24635-5
0.490
PET-UNK-2c6614b6-9
0.490
EDJ-MED-ede277f6-4
0.486
PET-UNK-b38839dc-16
0.485
BEN-DND-d6f8d3c6-1
0.485
ALP-POS-a577c8a2-1
0.485
MAT-POS-af1eef35-3
0.485
EDJ-MED-e18764cb-2
0.485
EDJ-MED-7889e8da-2
0.482
EDJ-MED-be9e6f63-2
0.482
EDJ-MED-e69ed63d-6
0.482
EDJ-MED-e69ed63d-9
0.482
EDJ-MED-e69ed63d-13
0.482
EDJ-MED-e69ed63d-15
0.482
PET-UNK-ff046148-3
0.482
PET-UNK-2c6614b6-3
0.480
EDJ-MED-f9b78f78-1
0.480
PET-UNK-4b4f2bb7-5
0.476
ALP-POS-6f6ae286-2
0.476
PET-UNK-407a74a5-11
0.476
PET-UNK-09a29654-2
0.472
PET-UNK-03fd2068-6
0.471
MAT-POS-c88128cb-13
0.471
ALP-POS-6f6ae286-4
0.469
EDJ-MED-ede277f6-1
0.469
EDG-MED-ee636701-2
0.467
JIN-POS-6dc588a4-11
0.467
EDJ-MED-f9b78f78-2
0.467
PET-UNK-6e612674-13
0.467
PET-UNK-6e612674-5
0.467
EDG-MED-b8f93667-3
0.466
PET-UNK-2c6614b6-8
0.465
PET-UNK-b38839dc-17
0.462
PET-UNK-6e612674-1
0.462