Molecular Properties | |
SMILES: | COc1ncn2nnnc2c1NC(=O)C1CCOc2ccc(Cl)cc21 |
MW: | 360.07 |
Fraction sp3: | 0.27 |
HBA: | 8 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 103.53 |
cLogP: | 1.69 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
JAG-UCB-52b62a6f-3
0.747
EDJ-MED-97c1bf5c-4
0.681
EDJ-MED-97c1bf5c-5
0.656
JOH-UNI-f51e3bbc-4
0.560
MAT-POS-b5c94171-1
0.543
JAG-UCB-52b62a6f-1
0.535
JAG-UCB-52b62a6f-2
0.535
JOH-UNI-f51e3bbc-2
0.525
MAT-POS-a3f7f96a-2
0.521
ROB-UNI-569bc02e-7
0.520
RAL-THA-b74298ba-1
0.511
JAG-UCB-52b62a6f-11
0.510
JAG-UCB-c61058a9-32
0.505
JAG-UCB-52b62a6f-12
0.500
NAU-LAT-8502cac5-16
0.500
EDG-MED-fe7487f8-9
0.500
RAL-THA-b74298ba-3
0.500
RAL-THA-3d7a794f-4
0.495
NAU-LAT-8502cac5-12
0.490
JAG-UCB-c61058a9-44
0.490
JOH-UNI-16fcdf60-1
0.490
EDJ-MED-51d3200d-2
0.485
NAU-LAT-8502cac5-13
0.485
RAL-THA-3d7a794f-2
0.485
RAL-THA-b74298ba-2
0.485
MAT-POS-968e8d9c-1
0.485
JAG-UCB-a3ef7265-20
0.485
JAG-UCB-c61058a9-21
0.485
JAG-UCB-c61058a9-41
0.485
NAU-LAT-8502cac5-15
0.485
JAG-UCB-119787ef-1
0.485
PET-UNK-158bee2a-7
0.484
PET-UNK-f4e47ebd-4
0.481
TAT-ENA-0e28ea53-1
0.480
NAU-LAT-8502cac5-10
0.479
JAG-UCB-52b62a6f-10
0.476
JAG-UCB-52b62a6f-14
0.476
RAL-THA-b74298ba-4
0.475
ROB-UNI-569bc02e-6
0.475
MAT-POS-1f3c8e6f-1
0.475
LON-WEI-0a73fcb8-6
0.475
EDG-MED-fe7487f8-8
0.475
JOH-UNI-d0d90dc1-3
0.475
ERI-UCB-9c7ec71b-4
0.475
MAT-POS-51833a24-6
0.472
JAG-UCB-52b62a6f-8
0.471
ADA-UCB-dc2b944c-10
0.471
JAG-UCB-52b62a6f-17
0.471
RAL-THA-9041a04d-6
0.471
MAT-POS-500f4700-1
0.470
JAG-UCB-c61058a9-2
0.470
ROB-UNI-569bc02e-3
0.470
RAL-THA-3d7a794f-3
0.470
EDJ-MED-97c1bf5c-2
0.469
MAT-POS-b3e365b9-3
0.469
MAT-POS-b3e365b9-4
0.469
NAU-LAT-8502cac5-11
0.469
BRU-CON-c4e3408a-1
0.469
JAN-GHE-f4ca5a00-13
0.469
VLA-UCB-53bdeed6-2
0.469
DAR-DIA-6a508060-6
0.469
TET-ENA-1a76f195-1
0.467
RAL-THA-9041a04d-7
0.467
RAL-THA-9041a04d-2
0.467
MAT-POS-51833a24-3
0.466
RAL-THA-9041a04d-3
0.466
RAL-THA-04c5403f-2
0.466
MAT-UCB-70f7c0f7-6
0.466
MAT-POS-a2421bb6-4
0.465
MAT-POS-8293a91a-1
0.465
RAL-THA-3d7a794f-1
0.465
JOH-UNI-1b27fa5e-7
0.465
MAT-POS-7ddaf7de-4
0.465
PET-UNK-3e029fdc-1
0.465
JAG-UCB-c61058a9-22
0.465
BEN-DND-b89db3f2-2
0.464
NAU-LAT-b7d8c353-4
0.464
MAT-POS-2bb0cf2b-2
0.462
EDJ-MED-fb4b7746-1
0.462
EDJ-MED-fb4b7746-2
0.462
JAG-UCB-52b62a6f-16
0.462
ROB-UNI-569bc02e-1
0.462
ADA-UCB-b1b30a00-7
0.462
RAL-THA-9041a04d-4
0.462
MAT-POS-a54ce14d-1
0.462
ERI-UCB-a38d41be-1
0.461
EDJ-MED-51d3200d-3
0.461
JOH-SUS-a69c159d-6
0.461
MAK-UNK-f481d203-1
0.460
MAK-UNK-f481d203-2
0.460
MAK-UNK-919546f0-1
0.460
JAG-UCB-c61058a9-6
0.459
EDJ-MED-51d3200d-1
0.457
ADA-UCB-dc2b944c-9
0.457
JOH-UNI-1b27fa5e-4
0.457
JOH-UNI-f51e3bbc-3
0.457
EDJ-MED-ba7e64f2-3
0.457
RAL-THA-04c5403f-1
0.456
JOH-UNI-1b27fa5e-5
0.456
RAL-THA-9041a04d-5
0.456