Molecular Properties | |
SMILES: | COC(=O)NCc1cc(Cl)cc(CC(=O)Nc2cncc3ccccc23)c1 |
MW: | 383.1 |
Fraction sp3: | 0.15 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 80.32 |
cLogP: | 3.93 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
carbamate include di-substitued N
ALP-POS-3b848b35-2
RAL-THA-1d44ff04-3
0.811
RAL-THA-1d44ff04-9
0.744
PET-UNK-bb7ffe78-1
0.720
MIC-UNK-644c43c7-4
0.704
MIC-UNK-644c43c7-3
0.695
MAT-POS-fce787c2-2
0.694
PET-UNK-bb7ffe78-3
0.692
ALP-POS-3b848b35-1
0.679
MAT-POS-3b92565d-2
0.679
RAL-THA-2d450e86-18
0.679
PET-UNK-1e7f2e90-1
0.667
RAL-THA-2d450e86-15
0.662
RAL-THA-2d450e86-14
0.641
PET-UNK-b87f07d0-1
0.640
MAT-POS-cc05818f-1
0.630
RAL-THA-2d450e86-17
0.630
PET-UNK-c5865d42-1
0.624
DAR-DIA-0587064e-2
0.624
DAR-DIA-0587064e-4
0.624
PET-UNK-b87f07d0-2
0.621
RAL-THA-1d44ff04-4
0.617
RAL-THA-1d44ff04-5
0.614
PET-UNK-8c422e11-1
0.614
MIC-UNK-16ccb665-3
0.610
EDJ-MED-50011917-1
0.609
MIC-UNK-16ccb665-1
0.607
PET-UNK-8c422e11-3
0.607
NAU-LAT-0543f7f2-9
0.607
RAL-THA-2d450e86-30
0.605
PET-UNK-8c422e11-4
0.605
RAL-THA-1d44ff04-10
0.602
RAL-THA-1d44ff04-13
0.602
PET-UNK-372a2f82-1
0.602
DAR-DIA-0587064e-7
0.602
RAL-THA-1d44ff04-11
0.600
PET-UNK-8c422e11-2
0.600
MAT-POS-281d2ee9-1
0.600
PET-UNK-bb7ffe78-2
0.600
MIC-UNK-644c43c7-1
0.596
PET-UNK-b87f07d0-3
0.593
DAR-DIA-0587064e-3
0.591
DAR-DIA-0587064e-5
0.591
ADA-UCB-6c2cb422-1
0.590
MIC-UNK-644c43c7-2
0.589
MIC-UNK-16ccb665-2
0.588
RAL-THA-6b94ceba-8
0.585
VLA-UNK-b9c208fe-2
0.582
MIC-UNK-08fa0751-2
0.581
MAT-POS-9ff17035-3
0.580
DAR-DIA-0587064e-1
0.578
RAL-THA-2d450e86-4
0.577
MIC-UNK-df9dcda8-4
0.576
RAL-THA-2d450e86-29
0.571
MAT-POS-3b92565d-1
0.571
MAT-POS-bbbbc21a-1
0.571
RAL-THA-2d450e86-2
0.571
DAR-DIA-0587064e-8
0.570
MAT-POS-23a8a11a-1
0.570
NAU-LAT-2fed8305-9
0.570
LON-WEI-9739a092-1
0.568
RAL-THA-1d44ff04-7
0.568
DAR-DIA-0587064e-6
0.565
RAL-THA-2d450e86-16
0.564
MAT-POS-281d2ee9-2
0.562
RAL-THA-1d44ff04-8
0.562
RAL-THA-2d450e86-9
0.561
PET-UNK-cf04cb02-1
0.560
MAT-POS-281d2ee9-3
0.556
LON-WEI-9739a092-7
0.554
VLA-UNK-9a7dc93f-1
0.554
RAL-THA-1d44ff04-1
0.553
RAL-THA-1d44ff04-2
0.553
PET-UNK-b87f07d0-4
0.552
PET-UNK-dd44aeb6-1
0.549
RAL-THA-2d450e86-27
0.549
RAL-THA-2d450e86-25
0.549
RAL-THA-2d450e86-24
0.549
PET-UNK-dd44aeb6-2
0.549
EDJ-MED-7320d5d2-1
0.548
ALP-POS-3b848b35-2
0.548
MAT-POS-3b92565d-3
0.548
PET-UNK-c5865d42-2
0.548
RAL-THA-2d450e86-22
0.548
MAT-POS-9ff17035-1
0.547
LON-WEI-9739a092-3
0.546
RAL-THA-2d450e86-39
0.543
MAT-POS-9ff17035-2
0.543
LON-WEI-9739a092-9
0.543
RAL-THA-2d450e86-11
0.542
RAL-THA-2d450e86-8
0.542
RAL-THA-2d450e86-6
0.542
RAL-THA-2d450e86-1
0.539
RAL-THA-2d450e86-3
0.538
ALP-POS-fab80cf2-1
0.537
LON-WEI-9739a092-8
0.537
NAU-LAT-2fed8305-5
0.537
LON-WEI-9739a092-10
0.535
BEN-DND-d1eb1f41-4
0.535
VLA-UNK-b9c208fe-1
0.534
RAL-THA-2d450e86-37
0.532