Molecular Properties | |
SMILES: | O=C(Nc1ccc(F)nc1)C1CCN(C(=O)CC2CCOc3cc(Cl)c(Cl)cc32)C1 |
MW: | 451.09 |
Fraction sp3: | 0.38 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 71.53 |
cLogP: | 4.27 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
2-halo pyridine
α-Halogen substituted N-heterocycles
Filter94_2_halo_pyridine
2-halopyridine
JUL-TUD-06b2044f-31
0.333
VLA-UNK-56836b69-4
0.330
BEN-DND-02317c5c-2
0.327
JUL-TUD-06b2044f-140
0.321
AAR-POS-5507155c-2
0.320
LON-WEI-120e5cf5-17
0.320
AAR-POS-f650c5f2-4
0.320
LON-WEI-120e5cf5-1
0.320
RYA-UNI-6d7114fd-1
0.319
ALP-POS-869ac754-1
0.319
RAL-THA-05e671eb-2
0.319
PET-UNK-03fd2068-2
0.314
PET-UNK-f4e47ebd-6
0.308
ROB-UNI-6ee2df8c-1
0.304
MAR-TRE-7f7bb9f0-26
0.300
JUL-TUD-06b2044f-63
0.300
JUL-TUD-06b2044f-66
0.300
RAL-THA-05e671eb-10
0.297
ALP-POS-fe871b40-9
0.297
MAT-POS-a13804f0-2
0.297
BEN-DND-02317c5c-4
0.297
MAT-POS-96f51285-5
0.297
ALP-POS-d91e0300-1
0.297
MAT-POS-a13804f0-3
0.297
EDJ-MED-611d11e7-6
0.297
MAT-POS-ec6d90b7-7
0.297
EDJ-MED-611d11e7-3
0.295
MAT-POS-96f51285-4
0.295
EDJ-MED-611d11e7-12
0.294
PET-UNK-f4e47ebd-5
0.294
MAT-POS-a5ef2d74-1
0.294
MAT-POS-ec6d90b7-3
0.294
JUL-TUD-06b2044f-106
0.289
MAR-TRE-f6f5f473-6
0.286
EDJ-MED-611d11e7-9
0.285
MAT-POS-96f51285-3
0.285
MAR-TRE-7f7bb9f0-13
0.284
LON-WEI-120e5cf5-11
0.282
BEN-DND-d1eb1f41-18
0.280
PET-UNK-f4e47ebd-7
0.278
PET-UNK-f4e47ebd-8
0.278
ALP-UNI-3735e77e-3
0.277
RAL-THA-05e671eb-11
0.277
BEN-VAN-ed886787-6
0.275
JOH-SUS-a69c159d-5
0.273
BEN-VAN-ed886787-5
0.273
BEN-VAN-ed886787-8
0.273
JUL-TUD-06b2044f-90
0.272
RAL-THA-05e671eb-13
0.271
BEN-DND-d1eb1f41-11
0.270
JUL-TUD-06b2044f-25
0.268
BEN-DND-d1eb1f41-17
0.266
PET-UNK-03fd2068-1
0.264
MAR-TRE-2fd8122f-33
0.264
JUL-TUD-06b2044f-10
0.263
MAR-TRE-2fd8122f-29
0.263
NAU-LAT-28398581-1
0.263
MAR-TRE-67513f76-75
0.263
BEN-VAN-ed886787-7
0.262
NAU-LAT-8502cac5-15
0.261
MAR-TRE-3e4e6814-54
0.261
JUL-TUD-06b2044f-47
0.260
MAR-TRE-7f7bb9f0-21
0.259
JOH-UNI-1b27fa5e-7
0.259
JUL-TUD-06b2044f-8
0.259
JUL-TUD-06b2044f-58
0.259
JOH-SUS-a69c159d-2
0.258
JUL-TUD-06b2044f-7
0.258
MAR-TRE-3159af1a-81
0.258
LON-WEI-120e5cf5-20
0.257
MAR-TRE-7f7bb9f0-86
0.257
MAR-TRE-9c797165-79
0.257
MAT-POS-51833a24-3
0.256
NAU-LAT-8502cac5-14
0.256
JAG-SYN-9c2cd0bd-7
0.255
JUL-TUD-06b2044f-27
0.254
RAL-THA-05e671eb-9
0.254
MAR-TRE-9c797165-77
0.252
MAR-TRE-04c86cea-35
0.252
JOH-UNI-04a01eac-3
0.252
MAR-TRE-2fd8122f-92
0.252
MAR-TRE-7f7bb9f0-27
0.252
KEI-TRE-d5e2018a-30
0.252
EDJ-MED-51d3200d-1
0.252
BEN-VAN-ed886787-16
0.252
BEN-DND-d1eb1f41-13
0.252
JUL-TUD-06b2044f-5
0.250
ALP-POS-79636100-1
0.250
ALP-POS-e2fddb0f-2
0.250
JAG-UCB-c61058a9-41
0.250
BEN-DND-d1eb1f41-12
0.248
EDG-MED-5d232de5-1
0.248
EDG-MED-5d232de5-2
0.248
MIC-UNK-5b1ead09-2
0.248
JAG-UCB-52b62a6f-9
0.248
ALP-POS-696356e4-1
0.248
ALP-POS-ce760d3f-7
0.248
JOH-UNI-04a01eac-1
0.248
TAT-ENA-0e28ea53-1
0.248
DRA-CSI-47e38074-9
0.248