Molecular Properties | |
SMILES: | CCCOc1cc(Cl)cc(CC(=O)Nc2cncc3ccccc23)c1 |
MW: | 354.11 |
Fraction sp3: | 0.2 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 51.22 |
cLogP: | 4.86 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
DAR-DIA-0587064e-4
0.842
NAU-LAT-0543f7f2-9
0.790
DAR-DIA-0587064e-1
0.778
ALP-POS-3b848b35-1
0.773
MAT-POS-3b92565d-2
0.773
RAL-THA-2d450e86-18
0.773
DAR-DIA-0587064e-6
0.759
DAR-DIA-0587064e-3
0.732
DAR-DIA-0587064e-5
0.732
DAR-DIA-0587064e-7
0.723
PET-UNK-8c422e11-3
0.691
MIC-UNK-16ccb665-1
0.691
PET-UNK-8c422e11-4
0.687
PET-UNK-bb7ffe78-2
0.683
DAR-DIA-0587064e-8
0.682
RAL-THA-1d44ff04-1
0.682
RAL-THA-1d44ff04-2
0.682
MAT-POS-fce787c2-2
0.676
MAT-POS-9ff17035-3
0.659
PET-UNK-bb7ffe78-1
0.658
PET-UNK-bb7ffe78-3
0.654
RAL-THA-2d450e86-15
0.646
PET-UNK-cf04cb02-1
0.636
RAL-THA-2d450e86-14
0.625
RAL-THA-1d44ff04-6
0.624
ALP-POS-3b848b35-2
0.622
EDJ-MED-7320d5d2-1
0.622
MAT-POS-3b92565d-3
0.622
RAL-THA-1d44ff04-4
0.622
MAT-POS-9ff17035-1
0.620
RAL-THA-1d44ff04-5
0.619
RAL-THA-1d44ff04-3
0.619
MAT-POS-9ff17035-2
0.615
MIC-UNK-16ccb665-3
0.614
RAL-THA-1d44ff04-13
0.607
PET-UNK-b87f07d0-2
0.607
PET-UNK-8c422e11-2
0.605
MAT-POS-281d2ee9-1
0.605
RAL-THA-1d44ff04-12
0.602
PET-UNK-8c422e11-1
0.600
RAL-THA-2d450e86-17
0.595
MAT-POS-cc05818f-1
0.595
RAL-THA-2d450e86-30
0.590
ROB-UNI-611831f5-1
0.589
RAL-THA-1d44ff04-10
0.588
RAL-THA-1d44ff04-9
0.586
RAL-THA-1d44ff04-11
0.586
ADA-UCB-6c2cb422-1
0.575
PET-UNK-1e7f2e90-1
0.575
MIC-UNK-16ccb665-2
0.575
RAL-THA-1d44ff04-7
0.573
PET-UNK-b87f07d0-1
0.571
MIC-UNK-08fa0751-2
0.568
VLA-UNK-b9c208fe-2
0.568
MIC-UNK-644c43c7-3
0.567
MAT-POS-281d2ee9-2
0.567
RAL-THA-1d44ff04-8
0.567
RAL-THA-2d450e86-11
0.566
RAL-THA-2d450e86-4
0.562
VLA-UNK-9a7dc93f-1
0.560
RAL-THA-2d450e86-2
0.557
PET-UNK-c5865d42-1
0.556
MIC-UNK-644c43c7-4
0.556
RAL-THA-2d450e86-16
0.550
MIC-UNK-644c43c7-1
0.548
LON-WEI-9739a092-9
0.547
EDJ-MED-50011917-1
0.543
MAT-POS-281d2ee9-3
0.543
LON-WEI-9739a092-1
0.541
RAL-THA-2d450e86-29
0.540
MAT-POS-3b92565d-1
0.540
MAT-POS-bbbbc21a-1
0.540
MAT-POS-fce787c2-1
0.540
LON-WEI-9739a092-10
0.540
PET-UNK-372a2f82-1
0.538
RAL-THA-2d450e86-33
0.537
MAT-POS-23a8a11a-1
0.537
LON-WEI-9739a092-4
0.536
RAL-THA-2d450e86-27
0.536
LON-WEI-9739a092-3
0.535
RAL-THA-2d450e86-8
0.529
RAL-THA-2d450e86-6
0.529
RAL-THA-2d450e86-9
0.529
MIC-UNK-644c43c7-2
0.526
LON-WEI-9739a092-7
0.526
LON-WEI-9739a092-8
0.526
RAL-THA-2d450e86-1
0.526
RAL-THA-2d450e86-3
0.525
ALP-POS-f13221e1-2
0.523
BEN-DND-d1eb1f41-4
0.523
PET-UNK-c5865d42-2
0.521
NAU-LAT-2fed8305-9
0.518
RAL-THA-2d450e86-22
0.517
VLA-UNK-9a7dc93f-2
0.517
ALP-POS-d7944b10-2
0.516
PET-UNK-b87f07d0-3
0.515
LON-WEI-9739a092-2
0.515
RAL-THA-2d450e86-35
0.512
RAL-THA-2d450e86-39
0.512
RAL-THA-2d450e86-13
0.512