Molecular Properties | |
SMILES: | Cc1ccncc1NC(=O)Cc1cc(Cl)cc(CNS(N)(=O)=O)c1 |
MW: | 368.07 |
Fraction sp3: | 0.2 |
HBA: | 4 |
HBD: | 3 |
Rotatable Bonds: | 6 |
TPSA: | 114.18 |
cLogP: | 1.52 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Hetero_hetero
RAL-THA-6b94ceba-12
0.809
RAL-THA-6b94ceba-5
0.718
RAL-THA-6b94ceba-15
0.718
RAL-THA-6b94ceba-8
0.699
RAL-THA-6b94ceba-16
0.662
RAL-THA-6b94ceba-13
0.658
WIL-MOD-03b86a88-6
0.653
RAL-THA-6b94ceba-6
0.630
NAU-LAT-0543f7f2-6
0.623
NAU-LAT-0543f7f2-5
0.600
WIL-MOD-03b86a88-3
0.597
WIL-MOD-03b86a88-5
0.597
RAL-THA-6b94ceba-14
0.597
RAL-THA-6b94ceba-7
0.592
MAT-POS-c9973a83-1
0.587
WIL-MOD-03b86a88-2
0.582
DAR-DIA-23e5a6a0-29
0.560
EDG-MED-0da5ad92-8
0.556
TRY-UNI-2eddb1ff-2
0.556
NAU-LAT-0543f7f2-2
0.553
DAR-DIA-23e5a6a0-27
0.552
TRY-UNI-714a760b-6
0.548
DAR-DIA-23e5a6a0-25
0.547
DAR-DIA-23e5a6a0-23
0.547
RAL-THA-6b94ceba-9
0.543
ENA-ENA-cf881d10-1
0.542
CHO-MSK-6e55470f-5
0.540
RAL-THA-6b94ceba-11
0.537
MAT-POS-e501d84c-1
0.537
WIL-MOD-03b86a88-4
0.536
MAT-POS-044491d2-6
0.529
GAB-REV-70cc3ca5-20
0.527
RAL-THA-6b94ceba-10
0.524
MAT-POS-044491d2-4
0.524
MAT-POS-f42f3716-2
0.523
DAR-DIA-23e5a6a0-21
0.522
MAT-POS-044491d2-7
0.518
MAT-POS-044491d2-2
0.517
NAU-LAT-0543f7f2-8
0.512
MAT-POS-f42f3716-6
0.512
MAT-POS-044491d2-1
0.512
NAU-LAT-0543f7f2-1
0.512
MAT-POS-044491d2-3
0.512
MAT-POS-f42f3716-1
0.511
EDJ-MED-e58735b6-3
0.506
WIL-MOD-03b86a88-1
0.506
TRY-UNI-2eddb1ff-7
0.506
MAT-POS-f42f3716-7
0.506
DAR-DIA-23e5a6a0-26
0.500
DAR-DIA-23e5a6a0-30
0.500
MAT-POS-f42f3716-5
0.500
RAL-THA-6b94ceba-4
0.494
RAL-THA-6b94ceba-1
0.494
RAL-THA-6b94ceba-3
0.494
MAT-POS-f42f3716-4
0.494
MAT-POS-f42f3716-9
0.489
DAR-DIA-23e5a6a0-24
0.489
RAL-THA-6b94ceba-2
0.489
JAN-GHE-83b26c96-13
0.487
EDJ-MED-e58735b6-2
0.487
TRY-UNI-714a760b-5
0.486
JAN-GHE-83b26c96-11
0.486
CHO-MSK-6e55470f-10
0.484
MAT-POS-044491d2-5
0.484
MAT-POS-f42f3716-3
0.484
BAR-COM-0f94fc3d-28
0.482
ALP-POS-f13221e1-4
0.481
DAR-DIA-23e5a6a0-28
0.479
DAR-DIA-23e5a6a0-22
0.473
MAT-POS-f42f3716-8
0.473
CHO-MSK-6e55470f-8
0.469
CHO-MSK-6e55470f-9
0.469
ALP-POS-95b75b4d-2
0.468
MIH-UNI-6b9ca91a-1
0.467
CHO-MSK-6e55470f-3
0.464
CHO-MSK-6e55470f-13
0.463
DAR-DIA-0cde14eb-76
0.463
JAN-GHE-83b26c96-14
0.463
ALP-POS-95b75b4d-3
0.463
ANN-UNI-98d2bf15-2
0.463
ALP-POS-95b75b4d-1
0.462
JAN-GHE-83b26c96-12
0.462
RAL-THA-1d44ff04-9
0.461
CHO-MSK-6e55470f-19
0.459
MAK-UNK-6ca90168-26
0.456
JOH-UNI-abfda500-6
0.455
ANN-UNI-98d2bf15-1
0.455
MAT-POS-500ca5bf-1
0.455
CHO-MSK-6e55470f-22
0.455
CHO-MSK-6e55470f-1
0.455
MAT-POS-173a45da-2
0.455
NAU-LAT-30527ac5-2
0.453
EDG-MED-0da5ad92-7
0.453
DAR-DIA-0cde14eb-3
0.452
CHO-MSK-6e55470f-17
0.452
DAR-DIA-0cde14eb-79
0.451
CHO-MSK-6e55470f-16
0.450
EDJ-MED-e58735b6-1
0.450
CHO-MSK-6e55470f-21
0.450
CHO-MSK-6e55470f-14
0.449