Molecular Properties | |
SMILES: | NS(=O)(=O)c1ccncc1NC(=O)C(=O)c1cccc(Cl)c1 |
MW: | 339.01 |
Fraction sp3: | 0.0 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 119.22 |
cLogP: | 1.2 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
alpha_dicarbonyl
diketo group
α-Diketones
Filter41_12_dicarbonyl
1,2-dicarbonyl not in ring
Ketone
Oxalyl
MAK-UNK-6ca90168-24
0.612
ALP-POS-95b75b4d-7
0.548
CHR-SOS-7098f804-21
0.405
EDG-MED-0da5ad92-5
0.366
JAN-GHE-83b26c96-4
0.354
JAN-GHE-83b26c96-5
0.354
TRY-UNI-2eddb1ff-4
0.354
TRY-UNI-2eddb1ff-5
0.354
TRY-UNI-714a760b-18
0.354
EDG-MED-0da5ad92-19
0.346
EDG-MED-0da5ad92-3
0.346
CHR-SOS-7098f804-12
0.342
BEN-DND-61647d40-20
0.342
ANN-UNI-98d2bf15-3
0.341
MAK-UNK-f203cb68-18
0.341
EDG-MED-0da5ad92-10
0.341
JAN-GHE-83b26c96-22
0.341
JOH-UNI-abfda500-5
0.341
ALP-POS-95b75b4d-6
0.338
JAG-UCB-cedd89ab-8
0.338
TRY-UNI-714a760b-12
0.338
MAK-UNK-6ca90168-23
0.337
MAT-POS-1e5f28a7-1
0.337
MAT-POS-bb423b95-5
0.333
TRY-UNI-714a760b-6
0.333
ALP-POS-f13221e1-4
0.333
JAN-GHE-83b26c96-9
0.333
JAN-GHE-83b26c96-8
0.330
JAN-GHE-83b26c96-10
0.326
JOH-UNI-abfda500-4
0.325
SAM-UNK-2684b532-7
0.325
SAM-UNK-2684b532-13
0.325
ALP-POS-95b75b4d-8
0.325
JAN-GHE-83b26c96-21
0.325
BAR-COM-0f94fc3d-38
0.322
SAM-UNK-2684b532-5
0.322
MAK-UNK-f481d203-1
0.319
MAK-UNK-919546f0-1
0.319
MAK-UNK-f481d203-2
0.319
MAK-UNK-f203cb68-3
0.319
RAL-THA-6b94ceba-13
0.318
SAM-UNK-2684b532-2
0.318
SAM-UNK-2684b532-11
0.318
RUB-POS-1325a9ea-19
0.318
JAN-GHE-83b26c96-23
0.318
SAM-UNK-2684b532-1
0.315
JAN-GHE-83b26c96-20
0.314
EDG-MED-0da5ad92-11
0.314
MAK-UNK-f203cb68-19
0.312
JAN-GHE-83b26c96-2
0.310
ALP-POS-95b75b4d-5
0.310
MAT-POS-bb423b95-4
0.310
JAN-GHE-83b26c96-17
0.310
SAM-UNK-2684b532-3
0.309
TRY-UNI-9f475305-3
0.309
NAU-LAT-a5c7d7cb-3
0.309
VLA-UCB-05e51b3f-2
0.309
SAM-UNK-2684b532-6
0.307
JIN-POS-6dc588a4-6
0.307
NAU-LAT-0543f7f2-6
0.304
BAR-COM-0f94fc3d-25
0.303
JIN-POS-6dc588a4-3
0.302
JIN-POS-6dc588a4-4
0.302
SAM-UNK-2684b532-12
0.302
EDG-MED-0da5ad92-6
0.301
EDJ-MED-49816e9b-1
0.301
RAL-THA-6b94ceba-15
0.300
SAD-SAT-24589cd1-3
0.300
MAK-UNK-f203cb68-10
0.299
MAK-UNK-f203cb68-1
0.299
MAK-UNK-f203cb68-21
0.296
RAL-THA-6b94ceba-6
0.295
EDJ-MED-e58735b6-3
0.295
DAR-DIA-23aa0b97-14
0.295
JOR-UNI-2fc98d0b-7
0.295
JAN-GHE-83b26c96-19
0.295
WAR-XCH-eb7b662f-7
0.295
MAK-UNK-f203cb68-9
0.295
SAM-UNK-2684b532-4
0.295
EDG-MED-0da5ad92-20
0.295
SAD-SAT-7d5528d9-6
0.295
NAU-LAT-0543f7f2-7
0.293
RYA-UNI-9b5114df-1
0.293
WIL-MOD-03b86a88-6
0.293
MAK-UNK-f203cb68-22
0.293
MAT-POS-bb423b95-3
0.292
ALP-POS-0c2c77e1-1
0.292
MAK-UNK-f203cb68-2
0.290
MAT-POS-f7918075-5
0.289
SAD-SAT-7d5528d9-35
0.289
SAD-SAT-7d5528d9-4
0.289
SAD-SAT-7d5528d9-5
0.287
JAN-GHE-83b26c96-3
0.287
MAK-UNK-f203cb68-20
0.287
MAR-TRE-4b834d9a-26
0.286
MAK-UNK-f203cb68-16
0.286
ALP-POS-ddb41b15-7
0.286
KEI-TRE-d5e2018a-19
0.286
ADA-UCB-6c2cb422-9
0.284
CHR-SOS-363cfb78-6
0.284