Molecular Properties | |
SMILES: | O=C(Nc1nnc2n1CCCC2)C1CCOc2ccc(Cl)cc21 |
MW: | 332.1 |
Fraction sp3: | 0.44 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 2 |
TPSA: | 69.04 |
cLogP: | 2.77 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
AAR-POS-d2a4d1df-11
MIC-UNK-deda7a44-6
0.867
JAG-UCB-c61058a9-21
0.581
RAL-THA-b74298ba-1
0.576
JAG-UCB-c61058a9-44
0.568
ERI-UCB-9c7ec71b-4
0.568
MAT-POS-968e8d9c-1
0.563
JAG-UCB-a3ef7265-20
0.563
NAU-LAT-8502cac5-16
0.563
NAU-LAT-8502cac5-11
0.563
EDG-MED-fe7487f8-9
0.563
JAG-UCB-119787ef-1
0.563
RAL-THA-b74298ba-3
0.563
JAG-UCB-c61058a9-2
0.562
EDG-MED-fe7487f8-8
0.551
JOH-UNI-d0d90dc1-3
0.551
RAL-THA-b74298ba-2
0.544
NAU-LAT-8502cac5-10
0.540
RAL-THA-04c5403f-2
0.538
MAT-UCB-70f7c0f7-6
0.538
RAL-THA-b74298ba-4
0.533
ERI-UCB-a38d41be-1
0.533
ROB-UNI-569bc02e-7
0.532
RAL-THA-3d7a794f-4
0.523
MAT-POS-a3f7f96a-2
0.517
JAG-UCB-c61058a9-32
0.516
ROB-UNI-569bc02e-1
0.516
ADA-UCB-b1b30a00-7
0.516
PET-UNK-158bee2a-7
0.511
RAL-THA-3d7a794f-2
0.511
RAL-THA-3d7a794f-1
0.505
PET-UNK-3e029fdc-1
0.505
TAT-ENA-0e28ea53-1
0.505
NAU-LAT-8502cac5-14
0.505
EDJ-MED-51d3200d-3
0.500
JOH-UNI-16fcdf60-1
0.500
RAL-THA-04c5403f-1
0.495
MAT-POS-500f4700-1
0.495
RAL-THA-3d7a794f-3
0.495
EDJ-MED-51d3200d-4
0.495
MAT-POS-b3e365b9-3
0.495
NAU-LAT-8502cac5-15
0.495
MAT-POS-b3e365b9-4
0.495
BRU-CON-c4e3408a-1
0.495
JAN-GHE-f4ca5a00-13
0.495
JAG-UCB-c61058a9-41
0.495
VLA-UCB-53bdeed6-2
0.495
DAR-DIA-6a508060-6
0.495
JAG-UCB-52b62a6f-11
0.490
JAG-UCB-52b62a6f-4
0.490
ALP-POS-b3e0acc5-2
0.489
MAT-POS-8293a91a-1
0.489
MAT-POS-b5c94171-1
0.489
JAG-UCB-c61058a9-22
0.489
JAG-UCB-c61058a9-9
0.489
ROB-UNI-569bc02e-6
0.484
PET-UNK-158bee2a-5
0.484
MAT-POS-1f3c8e6f-1
0.484
VLA-UNK-0ffe3317-7
0.484
ERI-UCB-9c7ec71b-2
0.484
EDJ-MED-e9694d2b-1
0.484
JAN-GHE-f4ca5a00-22
0.484
JAG-UCB-c61058a9-6
0.484
ALP-POS-8b8a49e1-3
0.483
EDJ-MED-51d3200d-1
0.480
EDJ-MED-ba7e64f2-1
0.479
RAL-THA-9041a04d-5
0.479
NAU-LAT-8502cac5-13
0.479
RAL-THA-9041a04d-6
0.479
BEN-DND-c852c98b-8
0.479
ROB-UNI-569bc02e-5
0.479
BEN-DND-a7517465-10
0.479
BEN-DND-c852c98b-4
0.479
ROB-UNI-569bc02e-3
0.479
JAG-UCB-c61058a9-11
0.479
NAU-LAT-b7d8c353-7
0.478
MIC-UNK-13557a72-2
0.478
ALP-POS-82da25a3-1
0.475
RAL-THA-9041a04d-7
0.475
ALP-POS-82da25a3-2
0.475
RAL-THA-9041a04d-3
0.474
MAT-POS-afb6844f-5
0.474
MAT-POS-a2421bb6-4
0.474
JAG-UCB-52b62a6f-6
0.474
JAG-UCB-c61058a9-7
0.473
JOH-UNI-1b27fa5e-7
0.473
MAT-POS-7ddaf7de-4
0.473
MAT-POS-afb6844f-1
0.473
NAU-LAT-b7d8c353-4
0.473
BEN-DND-b89db3f2-2
0.473
ROB-UNI-569bc02e-4
0.470
RAL-THA-9041a04d-4
0.469
JAG-UCB-52b62a6f-3
0.469
MAT-POS-a54ce14d-1
0.469
VLA-UCB-05e51b3f-19
0.469
VLA-UCB-50c39ae8-12
0.469
JAG-UCB-52b62a6f-1
0.469
JAG-UCB-52b62a6f-2
0.469
JOH-UNI-1b27fa5e-2
0.469
MAT-POS-afb6844f-4
0.469
MAT-POS-51833a24-1
0.469