Molecular Properties | |
SMILES: | Cn1c(NC(=O)[C@@H]2CCOc3ccc(Cl)cc32)nnc1C1CC1 |
MW: | 332.1 |
Fraction sp3: | 0.44 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 69.04 |
cLogP: | 2.85 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
JAG-UCB-c61058a9-3
0.727
RAL-THA-b74298ba-1
0.637
JAG-UCB-c61058a9-44
0.607
RAL-THA-b74298ba-3
0.602
EDG-MED-fe7487f8-9
0.602
MAT-UCB-70f7c0f7-6
0.591
RAL-THA-04c5403f-2
0.591
NAU-LAT-8502cac5-16
0.583
JAG-UCB-a3ef7265-20
0.583
JAG-UCB-c61058a9-21
0.583
JAG-UCB-119787ef-1
0.583
MAT-POS-968e8d9c-1
0.583
RAL-THA-b74298ba-2
0.581
MIC-UNK-deda7a44-6
0.575
JAG-UCB-c61058a9-6
0.571
JOH-UNI-d0d90dc1-3
0.570
EDG-MED-fe7487f8-8
0.570
ERI-UCB-9c7ec71b-4
0.570
RAL-THA-b74298ba-4
0.568
NAU-LAT-8502cac5-11
0.565
MIC-UNK-deda7a44-7
0.562
RAL-THA-3d7a794f-4
0.560
NAU-LAT-8502cac5-10
0.560
JOH-UNI-16fcdf60-1
0.553
MAT-POS-a3f7f96a-2
0.553
VLA-UCB-53bdeed6-3
0.552
JAN-GHE-f4ca5a00-22
0.552
ERI-UCB-a38d41be-1
0.551
JAG-UCB-c61058a9-32
0.549
ROB-UNI-569bc02e-7
0.549
PET-UNK-158bee2a-7
0.548
VLA-UCB-53bdeed6-2
0.547
MAT-POS-8293a91a-1
0.540
TAT-ENA-0e28ea53-1
0.540
JAG-UCB-c61058a9-9
0.540
ADA-UCB-b1b30a00-7
0.533
ROB-UNI-569bc02e-1
0.533
MAT-POS-b3e365b9-3
0.529
NAU-LAT-b7d8c353-7
0.529
BRU-CON-c4e3408a-1
0.529
DAR-DIA-6a508060-6
0.529
JAN-GHE-f4ca5a00-13
0.529
MAT-POS-b3e365b9-4
0.529
RAL-THA-3d7a794f-2
0.528
MAT-POS-500f4700-1
0.528
MAT-POS-b5c94171-1
0.523
JAG-UCB-c61058a9-7
0.523
MAT-POS-a2421bb6-4
0.522
MAT-POS-1f3c8e6f-1
0.517
NAU-LAT-8502cac5-12
0.517
EDJ-MED-e9694d2b-1
0.517
ERI-UCB-9c7ec71b-2
0.517
MAT-POS-afb6844f-4
0.516
NAU-LAT-8502cac5-15
0.511
JAG-UCB-c61058a9-41
0.511
RAL-THA-3d7a794f-3
0.511
RAL-THA-9041a04d-5
0.511
JAG-UCB-c61058a9-22
0.506
PET-UNK-3e029fdc-1
0.506
MAT-POS-7ddaf7de-4
0.506
RAL-THA-3d7a794f-1
0.506
MAT-POS-afb6844f-1
0.506
ALP-POS-b3e0acc5-2
0.505
VLA-UNK-0ffe3317-1
0.505
PET-UNK-e274cad4-7
0.505
JAG-UCB-52b62a6f-11
0.505
MAT-POS-51833a24-4
0.505
EDJ-MED-51d3200d-3
0.500
JAG-UCB-52b62a6f-1
0.500
MAK-UNK-919546f0-1
0.500
MAK-UNK-f481d203-1
0.500
MAK-UNK-f481d203-2
0.500
LON-WEI-0a73fcb8-6
0.500
PET-UNK-e274cad4-2
0.495
MAT-POS-a2421bb6-2
0.495
RAL-THA-04c5403f-1
0.495
RAL-THA-9041a04d-6
0.495
JOH-SUS-a69c159d-1
0.495
ADA-UCB-dc2b944c-12
0.495
MAT-POS-afb6844f-2
0.495
EDJ-MED-51d3200d-4
0.495
JAG-UCB-c61058a9-11
0.495
EDG-MED-0e5afe9d-1
0.490
EDJ-MED-fb4b7746-4
0.490
MAT-POS-51833a24-3
0.489
MAT-POS-afb6844f-5
0.489
BEN-DND-a7517465-3
0.489
RAL-THA-9041a04d-3
0.489
JAG-UCB-52b62a6f-6
0.489
JOH-UNI-1b27fa5e-7
0.489
NAU-LAT-b7d8c353-4
0.489
BEN-DND-b89db3f2-2
0.489
JAG-UCB-52b62a6f-14
0.485
EDJ-MED-fb4b7746-1
0.485
MAT-POS-2bb0cf2b-2
0.485
MAT-POS-51833a24-5
0.484
RAL-THA-9041a04d-4
0.484
JAG-UCB-52b62a6f-3
0.484
JAG-UCB-52b62a6f-2
0.484
MAT-POS-a54ce14d-1
0.484