Molecular Properties | |
SMILES: | O=C(Nc1c(F)nnc2ccccc12)C1CCOc2ccc(Cl)cc21 |
MW: | 357.07 |
Fraction sp3: | 0.17 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 2 |
TPSA: | 64.11 |
cLogP: | 3.93 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
α-Halogen substituted N-heterocycles
2-halopyridine
JOH-SUS-a69c159d-6
0.674
PET-UNK-158bee2a-5
0.621
VLA-UNK-0ffe3317-7
0.621
JOH-UNI-1b27fa5e-1
0.615
JOH-SUS-a69c159d-2
0.576
VLA-UNK-0ffe3317-1
0.571
JAG-UCB-52b62a6f-6
0.571
ADA-UCB-dc2b944c-10
0.558
JOH-SUS-a69c159d-7
0.558
JOH-UNI-f51e3bbc-3
0.558
JOH-SUS-a69c159d-3
0.547
JOH-UNI-1b27fa5e-3
0.547
ADA-UCB-dc2b944c-9
0.542
ADA-UCB-dc2b944c-11
0.537
MAT-POS-a3f7f96a-2
0.533
JOH-SUS-a69c159d-4
0.531
JOH-UNI-1b27fa5e-2
0.531
ADA-UCB-dc2b944c-12
0.526
JOH-SUS-a69c159d-1
0.526
EDJ-MED-ba7e64f2-3
0.526
JOH-UNI-f51e3bbc-4
0.525
RAL-THA-b74298ba-1
0.522
JOH-UNI-d0d90dc1-3
0.516
MAT-POS-f7918075-1
0.516
MAT-POS-b3e365b9-1
0.516
VLA-UCB-1dbca3b4-15
0.516
MAT-POS-b3e365b9-2
0.516
RAL-THA-b00e3cbf-1
0.515
JAG-UCB-52b62a6f-2
0.515
JAG-UCB-119787ef-1
0.511
MAT-POS-968e8d9c-1
0.511
RAL-THA-b74298ba-3
0.511
EDG-MED-fe7487f8-9
0.511
JAG-UCB-c61058a9-21
0.511
JAG-UCB-a3ef7265-20
0.511
RAL-THA-b74298ba-2
0.511
EDJ-MED-ba7e64f2-2
0.510
JOH-UNI-f51e3bbc-1
0.510
JAG-UCB-52b62a6f-17
0.510
MAT-POS-b5c94171-1
0.505
JOH-UNI-1b27fa5e-7
0.505
BEN-DND-b89db3f2-1
0.505
MAT-UCB-70f7c0f7-6
0.505
RAL-THA-04c5403f-2
0.505
FRA-DIA-e29753f2-1
0.505
JAG-UCB-c61058a9-45
0.505
VLA-UCB-05e51b3f-18
0.505
VLA-UCB-50c39ae8-11
0.505
NAU-LAT-b7d8c353-3
0.505
JAG-UCB-52b62a6f-5
0.505
JAG-UCB-52b62a6f-11
0.505
JOH-UNI-f51e3bbc-2
0.505
EDG-MED-fe7487f8-8
0.500
JAN-GHE-f4ca5a00-2
0.500
JOH-UNI-16fcdf60-1
0.500
ERI-UCB-9c7ec71b-4
0.500
JAG-UCB-52b62a6f-1
0.500
EDJ-MED-ba7e64f2-1
0.495
BEN-DND-c852c98b-4
0.495
JAG-UCB-52b62a6f-9
0.495
JOH-UNI-1b27fa5e-6
0.495
PET-UNK-158bee2a-7
0.495
JAG-UCB-52b62a6f-4
0.490
EDJ-MED-97c1bf5c-4
0.485
JAG-UCB-52b62a6f-3
0.485
ADA-UCB-dc2b944c-8
0.485
RAL-THA-b74298ba-4
0.485
ERI-UCB-a38d41be-1
0.485
LON-WEI-0a73fcb8-6
0.484
EDJ-MED-eff36d94-1
0.480
ALP-POS-ce760d3f-4
0.480
JOH-SUS-a69c159d-5
0.480
ALP-POS-ce760d3f-7
0.480
ALP-POS-696356e4-1
0.480
EDG-MED-5d232de5-1
0.480
EDG-MED-5d232de5-2
0.480
JAG-UCB-c61058a9-2
0.479
VLA-UCB-53bdeed6-2
0.479
NAU-LAT-8502cac5-15
0.479
JAG-UCB-c61058a9-41
0.479
BEN-DND-a7517465-5
0.475
JAG-UCB-52b62a6f-7
0.475
ADA-UCB-b1b30a00-6
0.475
MAT-POS-a2421bb6-4
0.474
MAT-POS-8293a91a-1
0.474
JAG-UCB-c61058a9-22
0.474
NAU-LAT-8502cac5-10
0.473
RAL-THA-3d7a794f-4
0.473
BEN-DND-a7517465-11
0.471
JAG-UCB-c61058a9-32
0.470
ROB-UNI-569bc02e-1
0.470
PET-UNK-03fd2068-1
0.470
ADA-UCB-b1b30a00-7
0.470
VLA-UCB-05e51b3f-19
0.470
VLA-UCB-05e51b3f-20
0.470
VLA-UCB-50c39ae8-12
0.470
VLA-UCB-50c39ae8-13
0.470
JAN-GHE-f4ca5a00-1
0.469
MIC-UNK-7574fcc6-2
0.469
PET-UNK-b1ef24dc-8
0.469