Molecular Properties | |
SMILES: | O=C(Cc1cc(Cl)cc(-c2ncc[nH]2)c1)Nc1cncc2ccccc12 |
MW: | 362.09 |
Fraction sp3: | 0.05 |
HBA: | 3 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 70.67 |
cLogP: | 4.46 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
ALP-POS-3b848b35-2
MAT-POS-281d2ee9-2
0.741
RAL-THA-1d44ff04-8
0.741
MAT-POS-281d2ee9-3
0.711
MAT-POS-fce787c2-2
0.676
RAL-THA-1d44ff04-1
0.626
RAL-THA-2d450e86-14
0.625
RAL-THA-2d450e86-15
0.625
PET-UNK-bb7ffe78-1
0.617
MAT-POS-cc05818f-1
0.614
RAL-THA-2d450e86-17
0.614
RAL-THA-2d450e86-18
0.602
ALP-POS-3b848b35-1
0.602
MAT-POS-3b92565d-2
0.602
RAL-THA-1d44ff04-4
0.602
PET-UNK-bb7ffe78-3
0.595
MIC-UNK-16ccb665-3
0.595
RAL-THA-2d450e86-30
0.590
RAL-THA-1d44ff04-10
0.588
RAL-THA-1d44ff04-13
0.588
MAT-POS-9ff17035-3
0.584
RAL-THA-6b94ceba-9
0.583
RAL-THA-1d44ff04-3
0.581
PET-UNK-8c422e11-1
0.581
RAL-THA-1d44ff04-5
0.581
ADA-UCB-6c2cb422-1
0.575
PET-UNK-8c422e11-3
0.575
PET-UNK-1e7f2e90-1
0.575
MIC-UNK-16ccb665-2
0.575
MIC-UNK-16ccb665-1
0.575
PET-UNK-c5865d42-1
0.573
MIC-UNK-644c43c7-4
0.573
DAR-DIA-0587064e-2
0.573
DAR-DIA-0587064e-4
0.573
PET-UNK-372a2f82-1
0.571
RAL-THA-1d44ff04-6
0.568
RAL-THA-1d44ff04-11
0.568
MAT-POS-281d2ee9-1
0.568
PET-UNK-bb7ffe78-2
0.568
MIC-UNK-08fa0751-2
0.568
PET-UNK-8c422e11-2
0.568
RAL-THA-1d44ff04-9
0.568
VLA-UNK-b9c208fe-2
0.568
EDJ-MED-50011917-1
0.560
DAR-DIA-0587064e-5
0.560
DAR-DIA-0587064e-3
0.560
NAU-LAT-0543f7f2-9
0.559
RAL-THA-2d450e86-2
0.557
PET-UNK-8c422e11-4
0.556
PET-UNK-b87f07d0-1
0.554
DAR-DIA-0587064e-7
0.554
DAR-DIA-0587064e-6
0.553
MAT-POS-3b92565d-3
0.553
ALP-POS-3b848b35-2
0.553
EDJ-MED-7320d5d2-1
0.553
RAL-THA-1d44ff04-12
0.552
RAL-THA-2d450e86-16
0.550
MIC-UNK-644c43c7-3
0.549
PET-UNK-cf04cb02-1
0.548
DAR-DIA-0587064e-1
0.548
MIC-UNK-644c43c7-2
0.543
RAL-THA-1d44ff04-2
0.542
DAR-DIA-0587064e-8
0.542
VLA-UNK-9a7dc93f-1
0.541
ROB-UNI-611831f5-1
0.541
PET-UNK-b87f07d0-2
0.538
PET-UNK-c5865d42-2
0.537
MAT-POS-23a8a11a-1
0.537
RAL-THA-2d450e86-33
0.537
LON-WEI-9739a092-4
0.536
MIC-UNK-644c43c7-1
0.532
PET-UNK-b87f07d0-3
0.531
LON-WEI-9739a092-9
0.531
MAT-POS-9ff17035-2
0.531
RAL-THA-2d450e86-9
0.529
RAL-THA-2d450e86-6
0.529
PET-UNK-3c72d439-1
0.529
LON-WEI-9739a092-7
0.526
ALP-POS-fab80cf2-1
0.526
RAL-THA-2d450e86-1
0.526
NAU-LAT-2fed8305-5
0.524
MAT-POS-9ff17035-1
0.520
RAL-THA-2d450e86-7
0.519
NAU-LAT-2fed8305-9
0.518
NAU-LAT-30527ac5-1
0.516
LON-WEI-9739a092-2
0.515
RAL-THA-2d450e86-35
0.512
PET-UNK-c9c1e0d8-1
0.512
RAL-THA-2d450e86-8
0.512
LON-WEI-9739a092-8
0.510
LON-WEI-9739a092-1
0.510
LON-WEI-9739a092-10
0.510
RAL-THA-2d450e86-3
0.506
VLA-UNK-b9c208fe-1
0.505
RAL-THA-2d450e86-25
0.500
RAL-THA-2d450e86-24
0.500
PET-UNK-dd44aeb6-1
0.500
PET-UNK-dd44aeb6-2
0.500
RAL-THA-2d450e86-27
0.500
RAL-THA-2d450e86-5
0.500
RAL-THA-2d450e86-36
0.500