Molecular Properties | |
SMILES: | O=C(Cc1cc(Cl)cc(Oc2ccc[nH]c2=O)c1)Nc1cncc2ccccc12 |
MW: | 405.09 |
Fraction sp3: | 0.05 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 84.08 |
cLogP: | 4.55 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
ALP-POS-3b848b35-2
MAT-POS-9ff17035-3
0.685
ROB-UNI-611831f5-1
0.667
MAT-POS-9ff17035-2
0.660
MAT-POS-3b92565d-2
0.651
RAL-THA-2d450e86-18
0.651
ALP-POS-3b848b35-1
0.651
MIC-UNK-16ccb665-1
0.622
PET-UNK-8c422e11-3
0.622
PET-UNK-bb7ffe78-2
0.615
PET-UNK-cf04cb02-1
0.611
MAT-POS-fce787c2-2
0.602
PET-UNK-8c422e11-4
0.602
DAR-DIA-0587064e-2
0.602
DAR-DIA-0587064e-4
0.602
RAL-THA-1d44ff04-1
0.602
DAR-DIA-0587064e-7
0.600
MAT-POS-3b92565d-3
0.598
ALP-POS-3b848b35-2
0.598
EDJ-MED-7320d5d2-1
0.598
DAR-DIA-0587064e-5
0.589
DAR-DIA-0587064e-3
0.589
DAR-DIA-0587064e-6
0.582
MAT-POS-9ff17035-1
0.580
RAL-THA-2d450e86-14
0.580
DAR-DIA-0587064e-1
0.577
NAU-LAT-0543f7f2-9
0.571
RAL-THA-1d44ff04-2
0.570
DAR-DIA-0587064e-8
0.570
RAL-THA-1d44ff04-13
0.565
RAL-THA-2d450e86-15
0.562
PET-UNK-bb7ffe78-1
0.556
RAL-THA-1d44ff04-7
0.552
RAL-THA-1d44ff04-8
0.546
MAT-POS-281d2ee9-2
0.546
RAL-THA-1d44ff04-4
0.543
RAL-THA-1d44ff04-5
0.543
RAL-THA-2d450e86-17
0.538
MIC-UNK-16ccb665-3
0.538
MAT-POS-cc05818f-1
0.538
PET-UNK-bb7ffe78-3
0.538
MIC-UNK-16ccb665-2
0.537
RAL-THA-1d44ff04-10
0.532
MAT-POS-281d2ee9-1
0.531
RAL-THA-1d44ff04-6
0.531
RAL-THA-2d450e86-30
0.529
RAL-THA-1d44ff04-3
0.526
PET-UNK-8c422e11-1
0.526
MAT-POS-281d2ee9-3
0.525
EDJ-MED-50011917-1
0.525
PET-UNK-1e7f2e90-1
0.521
PET-UNK-c5865d42-1
0.520
PET-UNK-c5865d42-2
0.520
RAL-THA-2d450e86-2
0.517
ADA-UCB-6c2cb422-1
0.517
MIC-UNK-08fa0751-2
0.515
RAL-THA-1d44ff04-9
0.515
RAL-THA-1d44ff04-11
0.515
PET-UNK-8c422e11-2
0.515
RAL-THA-2d450e86-16
0.511
VLA-UNK-b9c208fe-2
0.511
ALP-POS-fab80cf2-1
0.510
MIC-UNK-644c43c7-4
0.505
PET-UNK-372a2f82-1
0.505
PET-UNK-b87f07d0-2
0.505
LON-WEI-9739a092-4
0.505
MAT-POS-23a8a11a-1
0.500
MIC-UNK-644c43c7-3
0.500
RAL-THA-2d450e86-6
0.495
PET-UNK-b87f07d0-1
0.490
VLA-UNK-9a7dc93f-1
0.489
LON-WEI-9739a092-9
0.486
MIC-UNK-644c43c7-1
0.485
NAU-LAT-30527ac5-1
0.485
RAL-THA-2d450e86-7
0.483
LON-WEI-9739a092-8
0.481
LON-WEI-9739a092-7
0.481
MIC-UNK-644c43c7-2
0.481
RAL-THA-2d450e86-8
0.479
RAL-THA-2d450e86-11
0.479
RAL-THA-2d450e86-9
0.479
RAL-THA-2d450e86-35
0.478
RAL-THA-2d450e86-4
0.473
DAR-DIA-0587064e-9
0.472
PET-UNK-b87f07d0-3
0.472
RAL-THA-2d450e86-1
0.471
VLA-UNK-9a7dc93f-2
0.469
PET-UNK-b87f07d0-4
0.468
LON-WEI-9739a092-1
0.468
NAU-LAT-2fed8305-9
0.467
RAL-THA-2d450e86-10
0.467
RAL-THA-2d450e86-33
0.467
RAL-THA-2d450e86-36
0.467
LON-WEI-9739a092-3
0.464
VLA-UNK-b9c208fe-1
0.460
RAL-THA-2d450e86-29
0.459
MAT-POS-3b92565d-1
0.459
MAT-POS-bbbbc21a-1
0.459
LON-WEI-9739a092-2
0.459
ALP-POS-f13221e1-2
0.458
NAU-LAT-2fed8305-5
0.457