Molecular Properties | |
SMILES: | COC1CC1n1cnnc1NC(=O)C1CCOc2ccc(Cl)cc21 |
MW: | 348.1 |
Fraction sp3: | 0.44 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 78.27 |
cLogP: | 2.4 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
JAG-UCB-c61058a9-21
0.792
JOH-UNI-d0d90dc1-3
0.772
MAT-POS-968e8d9c-1
0.704
JAG-UCB-119787ef-1
0.704
JAG-UCB-a3ef7265-20
0.704
ERI-UCB-a38d41be-1
0.702
ERI-UCB-9c7ec71b-4
0.687
EDG-MED-fe7487f8-8
0.687
EDG-MED-fe7487f8-9
0.663
RAL-THA-b74298ba-3
0.663
RAL-THA-b74298ba-1
0.659
ROB-UNI-569bc02e-1
0.640
ADA-UCB-b1b30a00-7
0.640
RAL-THA-b74298ba-2
0.621
RAL-THA-b74298ba-4
0.589
MAT-UCB-70f7c0f7-6
0.576
RAL-THA-3d7a794f-4
0.563
JAG-UCB-c61058a9-44
0.556
NAU-LAT-8502cac5-16
0.551
NAU-LAT-8502cac5-11
0.551
RAL-THA-3d7a794f-2
0.549
JAG-UCB-c61058a9-2
0.549
RAL-THA-3d7a794f-1
0.544
PET-UNK-3e029fdc-1
0.544
MAT-POS-2bb0cf2b-2
0.536
EDJ-MED-fb4b7746-1
0.536
EDJ-MED-97c1bf5c-4
0.535
MAT-POS-b3e365b9-4
0.533
BRU-CON-c4e3408a-1
0.533
JAN-GHE-f4ca5a00-13
0.533
DAR-DIA-6a508060-6
0.533
MAT-POS-b3e365b9-3
0.533
NAU-LAT-8502cac5-10
0.528
MIC-UNK-deda7a44-6
0.527
JAG-UCB-52b62a6f-11
0.526
JAN-GHE-f4ca5a00-22
0.522
ROB-UNI-569bc02e-7
0.521
NAU-LAT-8502cac5-15
0.516
JAG-UCB-c61058a9-41
0.516
EDG-MED-a20b5824-1
0.516
JAG-UCB-c61058a9-17
0.516
BRU-THA-a358fbdd-3
0.516
RAL-THA-3d7a794f-3
0.516
MIC-UNK-deda7a44-7
0.516
EDJ-MED-97c1bf5c-5
0.515
JAG-UCB-c61058a9-22
0.511
JOH-UNI-1b27fa5e-7
0.511
MAT-POS-f9802937-7
0.510
JAG-UCB-c61058a9-34
0.505
MAK-UNK-f481d203-1
0.505
MAK-UNK-919546f0-1
0.505
MAK-UNK-f481d203-2
0.505
EDG-MED-fe7487f8-3
0.505
RAL-THA-6ca1b233-2
0.505
JAG-UCB-52b62a6f-2
0.505
RUB-POS-1325a9ea-10
0.505
EDJ-MED-97c1bf5c-3
0.505
BEN-DND-a7517465-10
0.500
MIC-UNK-deda7a44-5
0.500
NAU-LAT-8502cac5-2
0.500
RAL-THA-6ca1b233-3
0.500
BEN-DND-c852c98b-8
0.500
JAG-UCB-c61058a9-35
0.500
JAG-UCB-c61058a9-18
0.500
NAU-LAT-b7d8c353-7
0.500
JOH-UNI-1b27fa5e-5
0.500
JOH-UNI-f51e3bbc-2
0.495
JAG-UCB-c61058a9-7
0.495
ALF-EVA-ced740bd-1
0.490
JOH-UNI-1b27fa5e-1
0.490
JAG-UCB-52b62a6f-1
0.490
JOH-UNI-1b27fa5e-2
0.490
EDJ-MED-fb4b7746-2
0.490
LON-WEI-0a73fcb8-7
0.489
RAL-THA-6ca1b233-1
0.489
ERI-UCB-9c7ec71b-2
0.489
VLA-UCB-53bdeed6-3
0.489
EDJ-MED-e9694d2b-1
0.489
JAN-GHE-f4ca5a00-21
0.489
JAG-UCB-c61058a9-6
0.489
JOH-UNI-16fcdf60-1
0.489
BEN-DND-a7517465-6
0.485
ALF-EVA-ced740bd-2
0.485
JOH-UNI-f51e3bbc-4
0.485
JAG-UCB-52b62a6f-8
0.485
BEN-DND-a7517465-1
0.485
NAU-LAT-8502cac5-13
0.485
ADA-UCB-dc2b944c-12
0.485
JOH-SUS-a69c159d-1
0.485
JOH-SUS-a69c159d-2
0.485
EDG-MED-4b32601a-2
0.484
ANT-OPE-3d7cb11b-3
0.484
JAG-UCB-c61058a9-11
0.484
EDG-MED-fe7487f8-1
0.484
RAL-THA-6ca1b233-4
0.484
JOH-UNI-1b27fa5e-6
0.484
VLA-UCB-53bdeed6-2
0.484
MAK-UNK-8be7dca9-2
0.480
MAK-UNK-f481d203-5
0.480
MAK-UNK-919546f0-3
0.480