Molecular Properties | |
SMILES: | O=C(Nc1nnc2n1CCC2)C1CCOc2ccc(Cl)cc21 |
MW: | 318.09 |
Fraction sp3: | 0.4 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 2 |
TPSA: | 69.04 |
cLogP: | 2.38 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
AAR-POS-d2a4d1df-11
MIC-UNK-deda7a44-7
0.867
NAU-LAT-8502cac5-11
0.595
JAG-UCB-c61058a9-21
0.595
RAL-THA-b74298ba-1
0.590
ERI-UCB-9c7ec71b-4
0.581
JAG-UCB-c61058a9-44
0.581
JAG-UCB-a3ef7265-20
0.576
MAT-POS-968e8d9c-1
0.576
JAG-UCB-119787ef-1
0.576
NAU-LAT-8502cac5-16
0.576
RAL-THA-b74298ba-3
0.576
EDG-MED-fe7487f8-9
0.576
RAL-THA-b74298ba-2
0.575
JAG-UCB-c61058a9-2
0.575
EDG-MED-fe7487f8-8
0.563
JOH-UNI-d0d90dc1-3
0.563
RAL-THA-b74298ba-4
0.562
NAU-LAT-8502cac5-10
0.553
RAL-THA-04c5403f-2
0.549
MAT-UCB-70f7c0f7-6
0.549
ERI-UCB-a38d41be-1
0.544
ROB-UNI-569bc02e-7
0.543
MAT-POS-a3f7f96a-2
0.529
JAG-UCB-c61058a9-32
0.527
ROB-UNI-569bc02e-1
0.527
ADA-UCB-b1b30a00-7
0.527
PET-UNK-158bee2a-7
0.523
JAN-GHE-f4ca5a00-13
0.523
MAT-POS-b3e365b9-4
0.523
MAT-POS-b3e365b9-3
0.523
BRU-CON-c4e3408a-1
0.523
DAR-DIA-6a508060-6
0.523
RAL-THA-3d7a794f-2
0.522
RAL-THA-3d7a794f-4
0.517
NAU-LAT-8502cac5-14
0.516
JOH-UNI-16fcdf60-1
0.511
EDJ-MED-51d3200d-3
0.511
JOH-UNI-1b27fa5e-2
0.511
NAU-LAT-8502cac5-15
0.506
NAU-LAT-b7d8c353-7
0.506
JAG-UCB-c61058a9-41
0.506
VLA-UCB-53bdeed6-2
0.506
EDJ-MED-51d3200d-4
0.505
MAT-POS-500f4700-1
0.505
EDJ-MED-ba7e64f2-1
0.505
BEN-DND-c852c98b-4
0.505
BEN-DND-a7517465-10
0.505
BEN-DND-c852c98b-8
0.505
EDJ-MED-51d3200d-1
0.505
MAK-UNK-8be7dca9-7
0.505
JAG-UCB-c61058a9-22
0.500
PET-UNK-e274cad4-7
0.500
ALP-POS-b3e0acc5-2
0.500
MAT-POS-afb6844f-5
0.500
MAT-POS-7ddaf7de-4
0.500
RAL-THA-3d7a794f-1
0.500
JAG-UCB-c61058a9-9
0.500
MAT-POS-b5c94171-1
0.500
MAT-POS-8293a91a-1
0.500
TAT-ENA-0e28ea53-1
0.500
MAT-POS-afb6844f-1
0.500
JAG-UCB-52b62a6f-11
0.500
PET-UNK-3e029fdc-1
0.500
BEN-DND-c852c98b-7
0.495
MAK-UNK-8be7dca9-9
0.495
VLA-UCB-1dbca3b4-15
0.495
MAT-POS-b3e365b9-2
0.495
MAT-POS-afb6844f-3
0.495
MAT-POS-f7918075-1
0.495
MAT-POS-b3e365b9-1
0.495
MAT-POS-afb6844f-4
0.495
BEN-DND-02317c5c-3
0.495
MAT-POS-a2421bb6-1
0.495
MAT-POS-51833a24-1
0.495
LON-WEI-0a73fcb8-7
0.495
ERI-UCB-9c7ec71b-2
0.495
MAK-UNK-f481d203-2
0.495
PET-UNK-158bee2a-5
0.495
MAK-UNK-919546f0-1
0.495
VLA-UNK-0ffe3317-7
0.495
EDJ-MED-e9694d2b-1
0.495
MAK-UNK-f481d203-1
0.495
JAN-GHE-f4ca5a00-22
0.495
MAT-POS-1f3c8e6f-1
0.495
JAG-UCB-c61058a9-6
0.494
ALP-POS-8b8a49e1-3
0.494
MIC-UNK-b904ca85-1
0.490
ALF-EVA-5b152d2f-7
0.490
PET-UNK-e274cad4-2
0.490
NAU-LAT-8502cac5-13
0.489
PET-UNK-b38839dc-3
0.489
ALP-POS-ce760d3f-7
0.489
EDG-MED-5d232de5-2
0.489
ALP-POS-696356e4-1
0.489
EDG-MED-5d232de5-1
0.489
RAL-THA-04c5403f-1
0.489
MAT-POS-afb6844f-2
0.489
RAL-THA-3d7a794f-3
0.489
JAG-UCB-c61058a9-11
0.489
ROB-UNI-569bc02e-3
0.489