Molecular Properties | |
SMILES: | Cn1ncc2cncc(NC(=O)[C@@H]3CCOc4ccc(Cl)cc43)c21 |
MW: | 342.09 |
Fraction sp3: | 0.24 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 2 |
TPSA: | 69.04 |
cLogP: | 3.13 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
PET-UNK-e274cad4-7
0.718
EDJ-MED-fb4b7746-4
0.634
EDG-MED-0e5afe9d-1
0.634
MAT-POS-2bb0cf2b-2
0.630
EDJ-MED-fb4b7746-1
0.630
PET-UNK-2c6614b6-1
0.613
PET-UNK-e274cad4-4
0.609
MAT-POS-a2421bb6-4
0.607
BEN-DND-c852c98b-3
0.602
PET-UNK-b1ef24dc-5
0.600
MAT-POS-7ddaf7de-4
0.591
MAT-POS-afb6844f-1
0.591
BEN-DND-a7517465-3
0.587
BEN-DND-a7517465-2
0.587
BEN-DND-c852c98b-5
0.585
MAT-POS-8293a91a-3
0.585
ERI-UCB-8d4e5055-4
0.585
ALP-POS-ce760d3f-2
0.582
BEN-DND-4f474d93-1
0.582
MAT-POS-b3e365b9-1
0.582
VLA-UCB-1dbca3b4-15
0.582
BEN-DND-4f474d93-3
0.582
MAT-POS-f7918075-1
0.582
MIC-UNK-7574fcc6-2
0.582
MAT-POS-b3e365b9-2
0.582
MAK-UNK-8be7dca9-9
0.581
PET-UNK-03fd2068-1
0.581
ALF-EVA-5b152d2f-2
0.581
MAT-POS-b3e365b9-3
0.580
DAR-DIA-6a508060-6
0.580
JAN-GHE-f4ca5a00-13
0.580
BRU-CON-c4e3408a-1
0.580
MAT-POS-b3e365b9-4
0.580
MAT-POS-7ddaf7de-2
0.579
ERI-UCB-8d4e5055-3
0.579
RUB-POS-1325a9ea-10
0.579
MAT-POS-afb6844f-2
0.578
BEN-DND-4f474d93-2
0.576
BEN-DND-c852c98b-4
0.576
EDG-MED-5d232de5-1
0.576
EDJ-MED-ba7e64f2-1
0.576
ALP-POS-ce760d3f-3
0.576
EDG-MED-5d232de5-2
0.576
ALP-POS-696356e4-1
0.576
ALP-POS-ce760d3f-7
0.576
RAL-THA-3d7a794f-4
0.575
BEN-DND-c852c98b-10
0.574
MAK-UNK-8be7dca9-7
0.574
WIL-UCB-7ba4ac3a-1
0.574
BEN-DND-a7517465-1
0.574
BEN-DND-a7517465-8
0.574
BEN-DND-a7517465-6
0.573
PET-UNK-ee8352fa-5
0.573
BEN-DND-a7517465-5
0.570
PET-UNK-b1ef24dc-6
0.570
MAT-POS-14f31916-4
0.568
MAT-POS-f9802937-7
0.568
PET-UNK-ee8352fa-4
0.568
ALP-POS-82da25a3-2
0.568
PET-UNK-f4e47ebd-3
0.567
MAK-UNK-919546f0-1
0.567
MAK-UNK-f481d203-2
0.567
MAK-UNK-f481d203-1
0.567
MAT-POS-afb6844f-3
0.565
EDJ-MED-51d3200d-3
0.565
PET-UNK-b78139fa-1
0.564
BEN-DND-c852c98b-7
0.562
ALF-EVA-ced740bd-1
0.562
BEN-DND-c852c98b-9
0.561
BEN-DND-a7517465-9
0.561
RAL-THA-b9d6aec1-1
0.561
PET-UNK-b38839dc-4
0.561
EDJ-MED-51d3200d-4
0.560
PET-UNK-b38839dc-3
0.559
PET-UNK-7279c968-1
0.558
MAK-UNK-8be7dca9-8
0.557
RAL-THA-b9d6aec1-3
0.557
PET-UNK-ee8352fa-6
0.557
ALF-EVA-ced740bd-2
0.557
ALP-POS-b3e0acc5-2
0.554
MIC-UNK-b904ca85-2
0.553
ALP-POS-82da25a3-1
0.552
PET-UNK-f4e47ebd-4
0.551
PET-UNK-b38839dc-5
0.551
TET-ENA-382364b7-1
0.551
ERI-UCB-9c7ec71b-2
0.549
EDJ-MED-e9694d2b-1
0.549
LON-WEI-0a73fcb8-7
0.549
MAT-POS-afb6844f-4
0.548
PET-UNK-b1ef24dc-7
0.548
PET-UNK-b1ef24dc-8
0.548
MAT-POS-a2421bb6-1
0.548
EDJ-MED-fb4b7746-2
0.547
EDJ-MED-fb4b7746-3
0.547
EDG-MED-0e5afe9d-2
0.547
MAK-UNK-8be7dca9-5
0.546
BEN-DND-c852c98b-1
0.546
PET-UNK-6314f867-1
0.546
PET-UNK-e274cad4-5
0.546
BEN-DND-c852c98b-2
0.545