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
JAG-UCB-c61058a9-44
0.581
ERI-UCB-9c7ec71b-4
0.581
NAU-LAT-8502cac5-16
0.576
EDG-MED-fe7487f8-9
0.576
RAL-THA-b74298ba-3
0.576
JAG-UCB-119787ef-1
0.576
JAG-UCB-a3ef7265-20
0.576
MAT-POS-968e8d9c-1
0.576
JAG-UCB-c61058a9-2
0.575
RAL-THA-b74298ba-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
MAT-UCB-70f7c0f7-6
0.549
ERI-UCB-a38d41be-1
0.544
ROB-UNI-569bc02e-7
0.543
JAG-UCB-c61058a9-32
0.527
ROB-UNI-569bc02e-1
0.527
ADA-UCB-b1b30a00-7
0.527
BRU-CON-c4e3408a-1
0.523
JAN-GHE-f4ca5a00-13
0.523
DAR-DIA-6a508060-6
0.523
MAT-POS-b3e365b9-3
0.523
MAT-POS-b3e365b9-4
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
JOH-UNI-1b27fa5e-2
0.511
NAU-LAT-8502cac5-15
0.506
JAG-UCB-c61058a9-41
0.506
VLA-UCB-53bdeed6-2
0.506
NAU-LAT-b7d8c353-7
0.506
BEN-DND-c852c98b-4
0.505
BEN-DND-a7517465-10
0.505
BEN-DND-c852c98b-8
0.505
MAK-UNK-8be7dca9-7
0.505
RAL-THA-3d7a794f-1
0.500
JAG-UCB-c61058a9-22
0.500
JAG-UCB-c61058a9-9
0.500
PET-UNK-3e029fdc-1
0.500
JAG-UCB-52b62a6f-11
0.500
BEN-DND-c852c98b-7
0.495
MAK-UNK-8be7dca9-9
0.495
MAT-POS-b3e365b9-2
0.495
VLA-UCB-1dbca3b4-15
0.495
MAT-POS-b3e365b9-1
0.495
MAT-POS-f7918075-1
0.495
MAK-UNK-f481d203-1
0.495
MAK-UNK-919546f0-1
0.495
MAK-UNK-f481d203-2
0.495
LON-WEI-0a73fcb8-7
0.495
ERI-UCB-9c7ec71b-2
0.495
EDJ-MED-e9694d2b-1
0.495
JAN-GHE-f4ca5a00-22
0.495
JAG-UCB-c61058a9-6
0.494
ALP-POS-8b8a49e1-3
0.494
ALF-EVA-5b152d2f-7
0.490
NAU-LAT-8502cac5-13
0.489
ALP-POS-ce760d3f-7
0.489
EDG-MED-5d232de5-1
0.489
ALP-POS-696356e4-1
0.489
EDG-MED-5d232de5-2
0.489
JAG-UCB-c61058a9-11
0.489
ROB-UNI-569bc02e-3
0.489
RAL-THA-3d7a794f-3
0.489
MIC-UNK-13557a72-2
0.489
NAU-LAT-b7d8c353-2
0.485
NAU-LAT-b7d8c353-5
0.485
BEN-DND-c852c98b-3
0.485
MAT-POS-f9802937-7
0.485
JAG-UCB-52b62a6f-4
0.484
JAG-UCB-c61058a9-7
0.484
JOH-UNI-1b27fa5e-7
0.484
NAU-LAT-b7d8c353-4
0.483
BEN-DND-b89db3f2-2
0.483
BEN-DND-c852c98b-2
0.480
BEN-DND-c852c98b-9
0.480
BEN-DND-a7517465-9
0.480
BEN-DND-c852c98b-1
0.480
ROB-UNI-569bc02e-4
0.480
VLA-UCB-05e51b3f-19
0.479
JAG-UCB-52b62a6f-2
0.479
JAG-UCB-52b62a6f-3
0.479
VLA-UCB-50c39ae8-12
0.479
JAG-UCB-52b62a6f-1
0.479
ALF-EVA-5b152d2f-2
0.479
JOH-SUS-a69c159d-4
0.479
BEN-DND-4f474d93-3
0.479
ALP-POS-ce760d3f-2
0.479
ROB-UNI-569bc02e-6
0.479
BEN-DND-4f474d93-1
0.479
NAU-LAT-b7d8c353-1
0.478
LON-WEI-0a73fcb8-6
0.478
VLA-UCB-53bdeed6-3
0.478