Molecular Properties | |
SMILES: | O=C(Nc1snc2ccccc12)[C@@H]1CCS(=O)(=O)c2ccc(Cl)cc21 |
MW: | 392.01 |
Fraction sp3: | 0.18 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 2 |
TPSA: | 76.13 |
cLogP: | 3.85 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activated haloaromatics
VLA-UNK-4cf5aa07-1
PET-UNK-158bee2a-11
0.598
PET-UNK-158bee2a-10
0.593
PET-UNK-158bee2a-12
0.580
VLA-UNK-0ffe3317-7
0.570
PET-UNK-158bee2a-5
0.570
LUO-POS-868e8996-13
0.568
MAT-POS-66a736cf-1
0.568
LUO-POS-868e8996-14
0.568
MIC-UNK-91acba05-3
0.568
PET-UNK-b1ef24dc-16
0.522
EDJ-MED-b7309adf-2
0.505
BEN-DND-f06bfa8e-5
0.505
EDJ-MED-dd2a8363-2
0.505
PET-UNK-7f7e354d-3
0.500
PET-UNK-b1ef24dc-14
0.495
PET-UNK-2c6614b6-9
0.495
EDJ-MED-b7309adf-1
0.490
MAT-POS-86c60949-1
0.490
PET-UNK-2c6614b6-5
0.490
PET-UNK-b38839dc-15
0.489
PET-UNK-2c6614b6-3
0.485
PET-UNK-2c6614b6-8
0.484
PET-UNK-b1ef24dc-15
0.484
EDJ-MED-94fddcec-3
0.484
PET-UNK-2c6614b6-6
0.484
PET-UNK-2c6614b6-7
0.479
PET-UNK-158bee2a-13
0.479
EDJ-MED-94fddcec-2
0.474
PET-UNK-b1ef24dc-13
0.474
PET-UNK-2c6614b6-2
0.470
PET-UNK-7bb24635-6
0.470
PET-UNK-2c6614b6-1
0.469
EDG-MED-f9979214-2
0.465
ALP-POS-6f6ae286-7
0.465
BEN-DND-0ac71396-1
0.465
PET-UNK-2c6614b6-4
0.464
EDJ-MED-93390d0c-1
0.460
PET-UNK-7bb24635-4
0.460
EDJ-MED-93390d0c-2
0.460
PET-UNK-b38839dc-17
0.451
PET-UNK-7bb24635-5
0.451
BEN-DND-0ac71396-2
0.451
EDG-MED-f9979214-1
0.447
PET-UNK-b38839dc-16
0.447
EDJ-MED-d9f3798e-3
0.442
PET-UNK-064639eb-1
0.440
PET-UNK-064639eb-4
0.440
EDJ-MED-94fddcec-1
0.438
PET-UNK-09a29654-1
0.434
PET-UNK-09a29654-2
0.434
PET-UNK-09a29654-3
0.422
PET-UNK-022eab87-1
0.417
PET-UNK-158bee2a-1
0.391
VLA-UNK-4cf5aa07-1
0.391
PET-UNK-b1ef24dc-24
0.380
MIC-UNK-8758c41d-1
0.380
PET-UNK-b78139fa-3
0.355
PET-UNK-b1ef24dc-22
0.353
JOH-UNI-1b27fa5e-4
0.352
ALP-POS-a577c8a2-2
0.352
PET-UNK-b1ef24dc-23
0.350
PET-UNK-b78139fa-7
0.350
PET-UNK-b78139fa-8
0.350
PET-UNK-b78139fa-9
0.347
PET-UNK-b78139fa-5
0.346
MAT-POS-af1eef35-3
0.346
ALP-POS-a577c8a2-1
0.346
BEN-DND-d6f8d3c6-1
0.346
EDJ-MED-e18764cb-2
0.346
JOH-UNI-1b27fa5e-1
0.343
PET-UNK-b78139fa-2
0.343
PET-UNK-b1ef24dc-21
0.340
PET-UNK-b78139fa-6
0.337
PET-UNK-c0891748-4
0.333
PET-UNK-c0891748-10
0.333
ROB-UNI-322e8f70-2
0.333
PET-UNK-5ad1c31a-1
0.330
PET-UNK-5ad1c31a-7
0.330
PET-UNK-5ad1c31a-2
0.330
PET-UNK-5ad1c31a-8
0.330
PET-UNK-b78139fa-1
0.330
JAG-UCB-52b62a6f-6
0.330
VLA-UNK-0ffe3317-1
0.330
NAU-LAT-8502cac5-8
0.330
MAT-POS-78e1d523-1
0.327
BEN-DND-f06bfa8e-4
0.324
PET-UNK-b78139fa-4
0.324
MIC-UNK-54748b58-1
0.316
MAT-POS-b3e365b9-1
0.314
VLA-UCB-1dbca3b4-15
0.314
MAT-POS-b3e365b9-2
0.314
MAT-POS-f7918075-1
0.314
JOH-UNI-f51e3bbc-2
0.312
JAG-UCB-52b62a6f-17
0.311
ADA-UCB-dc2b944c-12
0.311
JOH-SUS-a69c159d-2
0.311
JOH-SUS-a69c159d-1
0.311
PET-UNK-064639eb-2
0.310
PET-UNK-064639eb-5
0.310
PET-UNK-c0891748-6
0.308