Molecular Properties | |
SMILES: | O=C(Cc1cc(Cl)cc(C(F)F)c1)Nc1cncc2ccccc12 |
MW: | 346.07 |
Fraction sp3: | 0.11 |
HBA: | 2 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 41.99 |
cLogP: | 5.01 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
ALP-POS-3b848b35-2
MAT-POS-281d2ee9-1
0.737
MAT-POS-fce787c2-2
0.735
RAL-THA-2d450e86-14
0.699
MIC-UNK-16ccb665-1
0.679
PET-UNK-8c422e11-3
0.679
MIC-UNK-16ccb665-2
0.679
RAL-THA-2d450e86-15
0.676
RAL-THA-1d44ff04-4
0.671
PET-UNK-bb7ffe78-1
0.667
RAL-THA-1d44ff04-13
0.654
MIC-UNK-08fa0751-2
0.650
ALP-POS-3b848b35-1
0.649
MAT-POS-3b92565d-2
0.649
RAL-THA-2d450e86-18
0.649
PET-UNK-8c422e11-1
0.646
RAL-THA-1d44ff04-5
0.646
RAL-THA-2d450e86-17
0.641
MAT-POS-cc05818f-1
0.641
PET-UNK-bb7ffe78-3
0.641
RAL-THA-2d450e86-30
0.639
VLA-UNK-b9c208fe-2
0.635
MIC-UNK-644c43c7-4
0.634
RAL-THA-1d44ff04-10
0.633
PET-UNK-8c422e11-2
0.630
PET-UNK-bb7ffe78-2
0.630
RAL-THA-1d44ff04-9
0.630
RAL-THA-1d44ff04-3
0.625
ADA-UCB-6c2cb422-1
0.622
PET-UNK-1e7f2e90-1
0.617
RAL-THA-2d450e86-16
0.616
DAR-DIA-0587064e-2
0.614
DAR-DIA-0587064e-4
0.614
PET-UNK-8c422e11-4
0.614
PET-UNK-c5865d42-1
0.614
RAL-THA-1d44ff04-6
0.610
RAL-THA-1d44ff04-11
0.610
MIC-UNK-644c43c7-3
0.607
DAR-DIA-0587064e-1
0.605
RAL-THA-2d450e86-2
0.603
VLA-UNK-9a7dc93f-1
0.603
EDJ-MED-50011917-1
0.600
MIC-UNK-644c43c7-2
0.598
RAL-THA-1d44ff04-7
0.595
DAR-DIA-0587064e-7
0.593
PET-UNK-b87f07d0-2
0.593
RAL-THA-2d450e86-9
0.590
RAL-THA-2d450e86-6
0.590
RAL-THA-1d44ff04-8
0.588
MAT-POS-9ff17035-3
0.588
MAT-POS-281d2ee9-2
0.588
MIC-UNK-644c43c7-1
0.586
DAR-DIA-0587064e-5
0.581
MAT-POS-281d2ee9-3
0.581
DAR-DIA-0587064e-3
0.581
NAU-LAT-0543f7f2-9
0.580
MAT-POS-23a8a11a-1
0.579
VLA-UNK-b9c208fe-1
0.578
RAL-THA-2d450e86-25
0.577
PET-UNK-dd44aeb6-1
0.577
PET-UNK-372a2f82-1
0.575
PET-UNK-b87f07d0-1
0.575
RAL-THA-2d450e86-35
0.573
VLA-UNK-9a7dc93f-2
0.573
PET-UNK-c5865d42-2
0.573
DAR-DIA-0587064e-6
0.573
MAK-UNK-c749d764-11
0.570
RAL-THA-2d450e86-1
0.569
PET-UNK-cf04cb02-1
0.568
PET-UNK-b87f07d0-3
0.567
LON-WEI-9739a092-2
0.565
LON-WEI-9739a092-7
0.562
ALP-POS-fab80cf2-1
0.560
DAR-DIA-0587064e-8
0.560
RAL-THA-2d450e86-7
0.560
RAL-THA-2d450e86-36
0.560
NAU-LAT-2fed8305-9
0.558
RAL-THA-2d450e86-10
0.558
RAL-THA-2d450e86-27
0.557
PET-UNK-dd44aeb6-2
0.557
RAL-THA-2d450e86-24
0.557
EDJ-MED-7320d5d2-1
0.556
MAT-POS-3b92565d-3
0.556
ALP-POS-3b848b35-2
0.556
LON-WEI-9739a092-4
0.554
MAT-POS-9ff17035-1
0.554
RAL-THA-2d450e86-8
0.550
MAT-POS-9ff17035-2
0.549
LON-WEI-9739a092-9
0.549
RAL-THA-2d450e86-3
0.547
NAU-LAT-2fed8305-5
0.544
RAL-THA-2d450e86-26
0.544
RAL-THA-1d44ff04-1
0.543
RAL-THA-1d44ff04-2
0.543
LON-WEI-9739a092-8
0.543
ROB-UNI-611831f5-1
0.543
PET-UNK-b87f07d0-4
0.543
RAL-THA-2d450e86-29
0.542
BEN-DND-d1eb1f41-4
0.542
PET-UNK-dd44aeb6-3
0.542
RAL-THA-2d450e86-28
0.542