Molecular Properties | |
SMILES: | Cc1ccncc1NC(=O)Cc1cc(Cl)cc(CS(N)(=O)=O)c1 |
MW: | 353.06 |
Fraction sp3: | 0.2 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 102.15 |
cLogP: | 2.01 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
RAL-THA-6b94ceba-16
0.779
NAU-LAT-0543f7f2-7
0.718
RAL-THA-6b94ceba-12
0.681
RAL-THA-6b94ceba-13
0.676
NAU-LAT-0543f7f2-6
0.662
WIL-MOD-03b86a88-6
0.649
RAL-THA-6b94ceba-5
0.644
NAU-LAT-0543f7f2-5
0.636
RAL-THA-6b94ceba-8
0.627
RAL-THA-6b94ceba-6
0.625
RAL-THA-6b94ceba-14
0.613
WIL-MOD-03b86a88-5
0.613
MAT-POS-c9973a83-1
0.603
WIL-MOD-03b86a88-3
0.592
RAL-THA-6b94ceba-7
0.587
WIL-MOD-03b86a88-2
0.577
DAR-DIA-23e5a6a0-29
0.573
TRY-UNI-2eddb1ff-2
0.571
EDG-MED-0da5ad92-8
0.571
RAL-THA-6b94ceba-11
0.570
DAR-DIA-23e5a6a0-27
0.565
TRY-UNI-714a760b-6
0.563
DAR-DIA-23e5a6a0-23
0.560
DAR-DIA-23e5a6a0-25
0.560
RAL-THA-6b94ceba-9
0.557
MAT-POS-e501d84c-1
0.550
WIL-MOD-03b86a88-4
0.549
NAU-LAT-0543f7f2-2
0.548
GAB-REV-70cc3ca5-20
0.542
MAT-POS-044491d2-4
0.537
RAL-THA-6b94ceba-10
0.537
ENA-ENA-cf881d10-1
0.537
MAT-POS-f42f3716-2
0.535
DAR-DIA-23e5a6a0-21
0.534
MAT-POS-044491d2-7
0.530
MAT-POS-044491d2-1
0.524
MAT-POS-044491d2-3
0.524
NAU-LAT-0543f7f2-1
0.524
MAT-POS-f42f3716-6
0.524
MAT-POS-044491d2-6
0.523
RAL-THA-6b94ceba-3
0.523
EDJ-MED-e58735b6-3
0.519
TRY-UNI-2eddb1ff-7
0.518
WIL-MOD-03b86a88-1
0.518
MAT-POS-f42f3716-7
0.517
CHO-MSK-6e55470f-5
0.517
MAT-POS-044491d2-2
0.512
DAR-DIA-23e5a6a0-30
0.512
DAR-DIA-23e5a6a0-26
0.511
MAT-POS-f42f3716-5
0.511
NAU-LAT-0543f7f2-8
0.506
RAL-THA-6b94ceba-1
0.506
RAL-THA-6b94ceba-4
0.506
MAT-POS-f42f3716-4
0.506
MAT-POS-f42f3716-1
0.506
TRY-UNI-714a760b-5
0.500
RAL-THA-6b94ceba-2
0.500
MAT-POS-f42f3716-9
0.500
JAN-GHE-83b26c96-11
0.500
MIH-UNI-6b9ca91a-1
0.500
DAR-DIA-23e5a6a0-24
0.500
EDJ-MED-e58735b6-2
0.500
MAT-POS-f42f3716-3
0.494
BAR-COM-0f94fc3d-28
0.494
ALP-POS-f13221e1-4
0.494
ANN-UNI-98d2bf15-2
0.494
JAN-GHE-83b26c96-12
0.493
DAR-DIA-23e5a6a0-28
0.489
CHO-MSK-6e55470f-19
0.484
MAT-POS-f42f3716-8
0.484
DAR-DIA-23e5a6a0-22
0.484
JAN-GHE-83b26c96-13
0.480
ALP-POS-95b75b4d-2
0.480
CHO-MSK-6e55470f-6
0.479
CHO-MSK-6e55470f-22
0.479
CHO-MSK-6e55470f-8
0.479
CHO-MSK-6e55470f-9
0.479
CHO-MSK-6e55470f-10
0.479
MAT-POS-044491d2-5
0.478
ALP-POS-95b75b4d-1
0.474
CHO-MSK-6e55470f-3
0.474
CHO-MSK-6e55470f-13
0.473
CHO-MSK-6e55470f-2
0.470
MAK-UNK-6ca90168-26
0.470
CHO-MSK-6e55470f-18
0.465
CHO-MSK-6e55470f-1
0.464
MAT-POS-500ca5bf-1
0.464
GAB-REV-70cc3ca5-3
0.463
EDJ-MED-e58735b6-1
0.462
CHO-MSK-6e55470f-16
0.459
CHO-MSK-6e55470f-21
0.459
CHO-MSK-6e55470f-14
0.458
ALP-POS-95b75b4d-4
0.457
DAR-DIA-0cde14eb-1
0.457
ALP-POS-95b75b4d-3
0.456
DAR-DIA-0cde14eb-76
0.456
JAN-GHE-83b26c96-14
0.456
TRY-UNI-2eddb1ff-1
0.456
CHO-MSK-6e55470f-20
0.454
EDJ-MED-c9f55a56-1
0.453