Molecular Properties | |
SMILES: | O=C(Nc1nncn1-c1ccccc1)[C@@H]1CCOc2ccc(Cl)cc21 |
MW: | 354.09 |
Fraction sp3: | 0.17 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 69.04 |
cLogP: | 3.43 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
VLA-UCB-05e51b3f-1
VLA-UCB-05e51b3f-19
VLA-UCB-05e51b3f-18
VLA-UCB-05e51b3f-16
VLA-UCB-05e51b3f-13
VLA-UCB-05e51b3f-12
VLA-UCB-05e51b3f-11
VLA-UCB-05e51b3f-10
VLA-UCB-05e51b3f-9
VLA-UCB-05e51b3f-8
VLA-UCB-05e51b3f-7
VLA-UCB-05e51b3f-6
VLA-UCB-05e51b3f-4
VLA-UCB-05e51b3f-3
VLA-UCB-05e51b3f-20
VLA-UCB-05e51b3f-17
VLA-UCB-05e51b3f-5
VLA-UCB-05e51b3f-2
VLA-UCB-05e51b3f-14
VLA-UCB-05e51b3f-15
NAU-LAT-8502cac5-6
0.741
RAL-THA-b74298ba-1
0.646
JAG-UCB-a3ef7265-20
0.631
RAL-THA-b74298ba-3
0.631
MAT-POS-968e8d9c-1
0.631
EDG-MED-fe7487f8-9
0.631
JAG-UCB-c61058a9-21
0.631
JAG-UCB-119787ef-1
0.631
ERI-UCB-9c7ec71b-4
0.616
EDG-MED-fe7487f8-8
0.616
JOH-UNI-d0d90dc1-3
0.616
RAL-THA-b74298ba-2
0.609
ERI-UCB-a38d41be-1
0.596
RAL-THA-b74298ba-4
0.596
JAG-UCB-c61058a9-2
0.591
JAG-UCB-c61058a9-32
0.576
ROB-UNI-569bc02e-1
0.576
ADA-UCB-b1b30a00-7
0.576
NAU-LAT-8502cac5-16
0.557
MAR-UCB-9ef021e0-1
0.554
MIC-UNK-deda7a44-6
0.549
JAG-UCB-c61058a9-44
0.544
NAU-LAT-8502cac5-11
0.539
MIC-UNK-deda7a44-7
0.538
JAG-UCB-52b62a6f-2
0.526
RAL-THA-3d7a794f-2
0.522
BEN-DND-a7517465-7
0.521
RAL-THA-3d7a794f-4
0.517
JAG-UCB-52b62a6f-11
0.515
JAN-GHE-f4ca5a00-22
0.511
VLA-UCB-05e51b3f-20
0.510
VLA-UCB-50c39ae8-12
0.510
JOH-UNI-1b27fa5e-2
0.510
VLA-UCB-05e51b3f-19
0.510
VLA-UCB-50c39ae8-13
0.510
JAG-UCB-52b62a6f-1
0.510
ROB-UNI-569bc02e-7
0.510
NAU-LAT-8502cac5-15
0.505
JAG-UCB-c61058a9-41
0.505
VLA-UCB-53bdeed6-2
0.505
JOH-UNI-1b27fa5e-4
0.505
PET-UNK-3e029fdc-1
0.500
NAU-LAT-8502cac5-10
0.500
JAG-UCB-c61058a9-22
0.500
RAL-THA-3d7a794f-1
0.500
MAT-POS-2bb0cf2b-2
0.495
EDJ-MED-fb4b7746-1
0.495
JAG-UCB-52b62a6f-3
0.495
JOH-UNI-1b27fa5e-1
0.495
JOH-SUS-a69c159d-6
0.495
JOH-UNI-16fcdf60-1
0.495
JAG-UCB-c61058a9-6
0.495
JOH-SUS-a69c159d-2
0.490
RAL-THA-3d7a794f-3
0.489
JAN-GHE-f4ca5a00-13
0.489
MAT-POS-b3e365b9-4
0.489
MAT-POS-b3e365b9-3
0.489
BRU-CON-c4e3408a-1
0.489
DAR-DIA-6a508060-6
0.489
JAG-UCB-52b62a6f-6
0.484
JOH-UNI-1b27fa5e-7
0.484
JAG-UCB-c61058a9-9
0.484
EDJ-MED-97c1bf5c-4
0.480
JOH-SUS-a69c159d-3
0.480
EDJ-MED-fb4b7746-2
0.480
LON-WEI-0a73fcb8-3
0.480
JOH-UNI-1b27fa5e-3
0.480
VLA-UCB-1dbca3b4-15
0.479
MAT-POS-f7918075-1
0.479
MAT-POS-b3e365b9-2
0.479
MAT-POS-b3e365b9-1
0.479
JAN-GHE-f4ca5a00-1
0.479
DAR-DIA-6a508060-7
0.479
NAU-LAT-b7d8c353-1
0.479
VLA-UCB-53bdeed6-3
0.479
ALP-POS-8b8a49e1-3
0.477
ADA-UCB-dc2b944c-10
0.475
JOH-UNI-f51e3bbc-1
0.474
JOH-SUS-a69c159d-1
0.474
JAG-UCB-52b62a6f-17
0.474
ADA-UCB-dc2b944c-12
0.474
NAU-LAT-b7d8c353-7
0.473
MAK-UNK-919546f0-3
0.470
MAK-UNK-f481d203-5
0.470
MAK-UNK-f481d203-6
0.470
ADA-UCB-b1b30a00-6
0.469
ADA-UCB-dc2b944c-11
0.469
JAG-UCB-c61058a9-7
0.468
BEN-DND-b89db3f2-2
0.467
NAU-LAT-b7d8c353-4
0.467
EDJ-MED-97c1bf5c-3
0.466
ALF-EVA-5b152d2f-2
0.465
JOH-SUS-a69c159d-4
0.465
ROB-UNI-569bc02e-6
0.464
NAU-LAT-8502cac5-12
0.463
LON-WEI-0a73fcb8-6
0.463
MAK-UNK-919546f0-1
0.463
MAK-UNK-f481d203-1
0.463
MAK-UNK-f481d203-2
0.463
LON-WEI-0a73fcb8-7
0.463