Molecular Properties | |
SMILES: | COc1ncn2cnnc2c1NC(=O)C1CCOc2ccc(Cl)cc21 |
MW: | 359.08 |
Fraction sp3: | 0.25 |
HBA: | 7 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 90.64 |
cLogP: | 2.29 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
JAG-UCB-52b62a6f-2
0.727
EDJ-MED-97c1bf5c-3
0.681
EDJ-MED-97c1bf5c-5
0.656
JAG-UCB-52b62a6f-11
0.638
JOH-UNI-f51e3bbc-4
0.545
RAL-THA-b74298ba-1
0.543
JAG-UCB-c61058a9-32
0.535
JAG-UCB-52b62a6f-3
0.535
RAL-THA-b74298ba-3
0.532
EDG-MED-fe7487f8-9
0.532
RAL-THA-b74298ba-2
0.531
JOH-UNI-d0d90dc1-3
0.521
JAG-UCB-52b62a6f-1
0.520
JAG-UCB-119787ef-1
0.516
MAT-POS-968e8d9c-1
0.516
JAG-UCB-a3ef7265-20
0.516
JAG-UCB-c61058a9-21
0.516
EDG-MED-fe7487f8-8
0.505
ERI-UCB-9c7ec71b-4
0.505
NAU-LAT-8502cac5-15
0.500
JOH-UNI-f51e3bbc-2
0.495
NAU-LAT-8502cac5-10
0.495
RAL-THA-3d7a794f-4
0.495
ERI-UCB-a38d41be-1
0.490
RAL-THA-b74298ba-4
0.490
NAU-LAT-8502cac5-12
0.490
JOH-UNI-1b27fa5e-4
0.485
NAU-LAT-8502cac5-11
0.485
JAG-UCB-c61058a9-41
0.485
NAU-LAT-8502cac5-16
0.485
MAT-UCB-70f7c0f7-6
0.480
EDJ-MED-fb4b7746-1
0.476
MAT-POS-2bb0cf2b-2
0.476
ADA-UCB-b1b30a00-7
0.476
ROB-UNI-569bc02e-1
0.476
JOH-SUS-a69c159d-6
0.475
JAG-UCB-c61058a9-44
0.475
JAN-GHE-f4ca5a00-22
0.475
JOH-UNI-16fcdf60-1
0.474
ADA-UCB-dc2b944c-9
0.471
ADA-UCB-dc2b944c-10
0.471
NAU-LAT-8502cac5-13
0.471
RAL-THA-3d7a794f-3
0.470
RAL-THA-3d7a794f-2
0.470
JAG-UCB-c61058a9-2
0.470
JAN-GHE-f4ca5a00-13
0.469
MAT-POS-b3e365b9-4
0.469
BRU-CON-c4e3408a-1
0.469
DAR-DIA-6a508060-6
0.469
MAT-POS-b3e365b9-3
0.469
ADA-UCB-dc2b944c-11
0.466
JOH-UNI-1b27fa5e-7
0.465
RAL-THA-3d7a794f-1
0.465
PET-UNK-3e029fdc-1
0.465
JAG-UCB-c61058a9-22
0.465
ROB-UNI-569bc02e-7
0.462
JOH-UNI-1b27fa5e-2
0.462
LON-WEI-0a73fcb8-6
0.460
JOH-SUS-a69c159d-7
0.457
JAG-UCB-52b62a6f-8
0.457
JAG-UCB-52b62a6f-12
0.457
JOH-UNI-f51e3bbc-3
0.457
JOH-UNI-1b27fa5e-5
0.456
JOH-UNI-1b27fa5e-6
0.455
VLA-UCB-53bdeed6-2
0.455
NAU-LAT-b7d8c353-7
0.455
MAT-POS-f9802937-7
0.453
NAU-LAT-8502cac5-14
0.452
JAG-UCB-52b62a6f-7
0.452
MIC-UNK-deda7a44-6
0.451
BEN-DND-b89db3f2-2
0.449
NAU-LAT-b7d8c353-4
0.449
RUB-POS-1325a9ea-10
0.449
JAG-UCB-52b62a6f-10
0.449
ALF-EVA-ced740bd-1
0.449
JAG-UCB-52b62a6f-14
0.449
JOH-UNI-1b27fa5e-1
0.448
EDJ-MED-fb4b7746-2
0.448
LON-WEI-0a73fcb8-3
0.448
JOH-UNI-1b27fa5e-3
0.448
ROB-UNI-569bc02e-6
0.447
MAK-UNK-919546f0-1
0.446
MAK-UNK-f481d203-1
0.446
MAK-UNK-f481d203-2
0.446
ALF-EVA-ced740bd-2
0.444
JAG-UCB-c61058a9-6
0.444
BEN-DND-a7517465-6
0.444
ADA-UCB-dc2b944c-12
0.442
ALP-POS-ce760d3f-3
0.442
MIC-UNK-deda7a44-7
0.442
JOH-SUS-a69c159d-1
0.442
JOH-SUS-a69c159d-2
0.442
BEN-DND-4f474d93-2
0.442
BEN-DND-c852c98b-8
0.442
BEN-DND-a7517465-10
0.442
ROB-UNI-569bc02e-3
0.441
JAG-UCB-c61058a9-11
0.441
JAG-UCB-52b62a6f-6
0.437
JAG-UCB-c61058a9-46
0.436
JAG-UCB-c61058a9-7
0.436