Molecular Properties | |
SMILES: | O=C(Cc1cc(Cl)cc(CC2CCN2)c1)Nc1cncc2ccccc12 |
MW: | 365.13 |
Fraction sp3: | 0.24 |
HBA: | 3 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 54.02 |
cLogP: | 3.97 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
EDJ-MED-50011917-1
EDJ-MED-50011917-1
0.821
PET-UNK-bb7ffe78-1
0.679
MAT-POS-fce787c2-2
0.676
PET-UNK-cf04cb02-1
0.655
PET-UNK-bb7ffe78-3
0.654
PET-UNK-c5865d42-2
0.640
RAL-THA-1d44ff04-3
0.639
RAL-THA-2d450e86-17
0.634
MAT-POS-cc05818f-1
0.634
PET-UNK-1e7f2e90-1
0.631
MIC-UNK-644c43c7-4
0.628
RAL-THA-2d450e86-15
0.625
RAL-THA-2d450e86-14
0.625
RAL-THA-1d44ff04-6
0.624
RAL-THA-1d44ff04-9
0.624
MIC-UNK-16ccb665-3
0.614
DAR-DIA-0587064e-3
0.614
PET-UNK-372a2f82-1
0.607
RAL-THA-1d44ff04-4
0.602
MAT-POS-3b92565d-2
0.602
ALP-POS-3b848b35-1
0.602
RAL-THA-2d450e86-18
0.602
MIC-UNK-644c43c7-3
0.602
MIC-UNK-644c43c7-1
0.600
MIC-UNK-644c43c7-2
0.593
MIC-UNK-16ccb665-2
0.593
ALP-POS-fab80cf2-1
0.591
RAL-THA-2d450e86-30
0.590
PET-UNK-b87f07d0-2
0.589
PET-UNK-b87f07d0-1
0.589
RAL-THA-1d44ff04-13
0.588
RAL-THA-1d44ff04-10
0.588
MAT-POS-3b92565d-3
0.587
EDJ-MED-7320d5d2-1
0.587
ALP-POS-3b848b35-2
0.587
MAT-POS-281d2ee9-1
0.586
RAL-THA-1d44ff04-5
0.581
PET-UNK-8c422e11-1
0.581
MAT-POS-281d2ee9-3
0.578
ADA-UCB-6c2cb422-1
0.575
MIC-UNK-16ccb665-1
0.575
PET-UNK-8c422e11-3
0.575
PET-UNK-8c422e11-4
0.573
RAL-THA-1d44ff04-7
0.573
MAT-POS-9ff17035-1
0.568
RAL-THA-1d44ff04-11
0.568
MIC-UNK-08fa0751-2
0.568
PET-UNK-bb7ffe78-2
0.568
PET-UNK-8c422e11-2
0.568
VLA-UNK-b9c208fe-2
0.568
MAT-POS-281d2ee9-2
0.567
RAL-THA-1d44ff04-8
0.567
PET-UNK-b87f07d0-3
0.564
RAL-THA-2d450e86-2
0.557
PET-UNK-b87f07d0-4
0.557
DAR-DIA-0587064e-2
0.556
NAU-LAT-2fed8305-9
0.556
DAR-DIA-0587064e-4
0.556
RAL-THA-2d450e86-16
0.550
MAT-POS-9ff17035-3
0.549
DAR-DIA-0587064e-5
0.543
VLA-UNK-9a7dc93f-1
0.541
LON-WEI-9739a092-6
0.540
DAR-DIA-0587064e-7
0.538
DAR-DIA-0587064e-6
0.537
MAT-POS-23a8a11a-1
0.537
DAR-DIA-0587064e-1
0.532
MAT-POS-9ff17035-2
0.531
LON-WEI-9739a092-9
0.531
EDJ-MED-50011917-3
0.531
RAL-THA-2d450e86-6
0.529
RAL-THA-2d450e86-9
0.529
LON-WEI-9739a092-7
0.526
NAU-LAT-0543f7f2-9
0.526
RAL-THA-1d44ff04-1
0.526
RAL-THA-1d44ff04-2
0.526
RAL-THA-2d450e86-1
0.526
NAU-LAT-2fed8305-5
0.524
VLA-UNK-b9c208fe-1
0.522
RAL-THA-1d44ff04-12
0.520
LON-WEI-9739a092-4
0.520
RAL-THA-2d450e86-7
0.519
RAL-THA-2d450e86-5
0.518
RAL-THA-2d450e86-33
0.518
RAL-THA-2d450e86-25
0.518
PET-UNK-dd44aeb6-1
0.518
RAL-THA-2d450e86-35
0.512
RAL-THA-2d450e86-12
0.512
RAL-THA-2d450e86-8
0.512
DAR-DIA-0587064e-8
0.510
LON-WEI-9739a092-8
0.510
ROB-UNI-611831f5-1
0.510
RAL-THA-2d450e86-3
0.506
BEN-DND-d1eb1f41-4
0.506
DAR-DIA-0cde14eb-48
0.506
LON-WEI-9739a092-3
0.505
VLA-UNK-9a7dc93f-2
0.500
NAU-LAT-2fed8305-6
0.500
ALP-POS-f13221e1-3
0.500
PET-UNK-dd44aeb6-2
0.500