Molecular Properties | |
SMILES: | Cc1ccncc1NC(=O)Cc1cc(Cl)cc(NCS(N)(=O)=O)c1 |
MW: | 368.07 |
Fraction sp3: | 0.2 |
HBA: | 5 |
HBD: | 3 |
Rotatable Bonds: | 6 |
TPSA: | 114.18 |
cLogP: | 1.88 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
WIL-MOD-03b86a88-6
0.736
WIL-MOD-03b86a88-5
0.699
RAL-THA-6b94ceba-13
0.671
MAT-POS-044491d2-7
0.667
RAL-THA-6b94ceba-15
0.662
NAU-LAT-0543f7f2-5
0.633
RAL-THA-6b94ceba-14
0.632
MAT-POS-e501d84c-1
0.628
NAU-LAT-0543f7f2-7
0.623
MAT-POS-044491d2-6
0.614
MAT-POS-044491d2-4
0.613
RAL-THA-6b94ceba-6
0.600
MAT-POS-c9973a83-1
0.600
MAT-POS-044491d2-1
0.598
MAT-POS-044491d2-3
0.598
RAL-THA-6b94ceba-16
0.590
RAL-THA-6b94ceba-12
0.590
MAT-POS-044491d2-2
0.583
WIL-MOD-03b86a88-3
0.570
RAL-THA-6b94ceba-7
0.564
RAL-THA-6b94ceba-5
0.557
RAL-THA-6b94ceba-10
0.554
EDG-MED-0da5ad92-8
0.548
TRY-UNI-2eddb1ff-2
0.548
NAU-LAT-0543f7f2-2
0.547
MAT-POS-044491d2-5
0.544
RAL-THA-6b94ceba-8
0.543
TRY-UNI-714a760b-6
0.541
WIL-MOD-03b86a88-2
0.537
RAL-THA-6b94ceba-9
0.537
RAL-THA-6b94ceba-11
0.530
WIL-MOD-03b86a88-4
0.529
NAU-LAT-0543f7f2-1
0.523
MAT-POS-f42f3716-6
0.523
GAB-REV-70cc3ca5-20
0.520
EDJ-MED-e58735b6-3
0.519
ENA-ENA-cf881d10-1
0.518
DAR-DIA-23e5a6a0-29
0.517
WIL-MOD-03b86a88-1
0.517
TRY-UNI-2eddb1ff-7
0.517
MAT-POS-f42f3716-2
0.517
CHO-MSK-6e55470f-19
0.516
DAR-DIA-23e5a6a0-30
0.511
DAR-DIA-23e5a6a0-25
0.506
RAL-THA-6b94ceba-4
0.506
RAL-THA-6b94ceba-1
0.506
RAL-THA-6b94ceba-3
0.506
MAT-POS-f42f3716-1
0.506
DAR-DIA-23e5a6a0-23
0.506
RAL-THA-6b94ceba-2
0.500
DAR-DIA-23e5a6a0-21
0.500
CHO-MSK-6e55470f-5
0.500
MAT-POS-f42f3716-7
0.500
JAN-GHE-83b26c96-11
0.500
DAR-DIA-23e5a6a0-24
0.500
CHO-MSK-6e55470f-22
0.495
CHO-MSK-6e55470f-10
0.495
DAR-DIA-23e5a6a0-26
0.495
ALP-POS-f13221e1-4
0.494
MAT-POS-f42f3716-4
0.489
MAT-POS-f42f3716-9
0.484
DAR-DIA-23e5a6a0-22
0.484
JAN-GHE-83b26c96-13
0.481
TRY-UNI-714a760b-5
0.479
CHO-MSK-6e55470f-8
0.479
CHO-MSK-6e55470f-9
0.479
MAT-POS-f42f3716-5
0.478
MAT-POS-f42f3716-3
0.478
DAR-DIA-23e5a6a0-27
0.478
JAN-GHE-83b26c96-12
0.474
CHO-MSK-6e55470f-3
0.474
CHO-MSK-6e55470f-14
0.474
CHO-MSK-6e55470f-13
0.474
DAR-DIA-23e5a6a0-28
0.474
NAU-LAT-0543f7f2-8
0.472
MAT-POS-f42f3716-8
0.468
CHO-MSK-6e55470f-6
0.465
EDJ-MED-e58735b6-2
0.462
ALP-POS-95b75b4d-2
0.462
CHO-MSK-6e55470f-17
0.462
MIH-UNI-6b9ca91a-1
0.461
CHO-MSK-6e55470f-16
0.460
BAR-COM-0f94fc3d-28
0.460
ANN-UNI-98d2bf15-2
0.457
TRY-UNI-2eddb1ff-1
0.457
ALP-POS-95b75b4d-1
0.456
CHO-MSK-6e55470f-20
0.455
PET-SGC-6e7c5dc0-1
0.453
DAR-DIA-0cde14eb-62
0.452
CHO-MSK-6e55470f-11
0.451
MAT-POS-500ca5bf-1
0.450
CHO-MSK-6e55470f-1
0.450
MAT-POS-173a45da-2
0.450
MAK-UNK-6ca90168-26
0.449
DAR-DIA-0cde14eb-3
0.447
GAB-REV-70cc3ca5-3
0.446
DAR-DIA-0cde14eb-79
0.446
CHO-MSK-6e55470f-21
0.446
EDJ-MED-e58735b6-1
0.444
CHO-MSK-6e55470f-2
0.442