Molecular Properties | |
SMILES: | O=C(Cc1c[nH]c2cccc(Cl)c12)Nc1c(F)ccnc1F |
MW: | 321.05 |
Fraction sp3: | 0.07 |
HBA: | 2 |
HBD: | 2 |
Rotatable Bonds: | 3 |
TPSA: | 57.78 |
cLogP: | 3.68 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Enamine Extended REAL: | s_11____10330274____10466762 |
2-halo pyridine
α-Halogen substituted N-heterocycles
Filter94_2_halo_pyridine
4-halopyridine
2-halopyridine
AAR-POS-d2a4d1df-1
BAR-COM-0f94fc3d-39
0.416
BAR-COM-0f94fc3d-52
0.326
TRY-UNI-1fd04853-9
0.298
BEN-BAS-bb561ced-1
0.282
EDG-MED-0da5ad92-18
0.281
DAR-DIA-23aa0b97-12
0.277
EDJ-MED-49816e9b-2
0.276
RUB-POS-1325a9ea-18
0.274
TRY-UNI-1fd04853-5
0.274
MAT-POS-199e2e7c-2
0.274
JAG-UCB-a3ef7265-9
0.273
EDJ-MED-c8e7a002-15
0.271
JAN-GHE-5a013bed-11
0.267
MAK-UNK-a7b37c5e-4
0.265
MAR-TRE-7f7bb9f0-83
0.264
JOH-UNI-6fede743-5
0.263
WIL-UNI-d4749f31-4
0.262
MAR-TRE-a9136c7b-22
0.262
BAR-COM-0f94fc3d-17
0.260
SWA-SYN-6423ea73-4
0.260
SWA-SYN-d2e6fa14-4
0.260
TRY-UNI-1fd04853-7
0.258
JIN-POS-6dc588a4-5
0.258
NIC-BIO-b40446ce-2
0.257
MAK-UNK-a7b37c5e-1
0.256
BEN-DND-61647d40-17
0.256
CUN-WAB-25b584ee-2
0.253
EDG-MED-0da5ad92-2
0.253
JAG-UCB-a3ef7265-10
0.253
MIC-UNK-50cce87d-2
0.253
EDJ-MED-6ab52e52-1
0.253
MAR-TRE-3159af1a-21
0.252
NIM-UNI-310206f0-49
0.252
JIN-POS-6dc588a4-13
0.250
JAG-UCB-a3ef7265-2
0.250
JAG-UCB-a3ef7265-5
0.250
AGN-NEW-c7b24fe3-5
0.250
EDJ-MED-c8e7a002-13
0.250
MAR-TRE-4f781e27-94
0.248
TRY-UNI-1fd04853-11
0.247
ALP-POS-95b75b4d-8
0.247
SAM-UNK-2684b532-13
0.247
EDG-MED-0da5ad92-13
0.247
MAK-UNK-a7b37c5e-3
0.247
MAK-UNK-a7b37c5e-5
0.247
NIC-BIO-3276ca7f-6
0.245
JOH-UNI-3fc3434e-11
0.245
JOH-UNI-ee5ed7c8-11
0.245
JOH-UNI-6fede743-2
0.245
SID-ELM-b654bfa2-18
0.245
SAM-UNK-2684b532-11
0.245
EDG-MED-0da5ad92-14
0.244
JAN-GHE-5a013bed-9
0.244
EDJ-MED-c8e7a002-4
0.242
JIN-POS-6dc588a4-19
0.242
JOH-UNI-6fede743-3
0.242
MAT-POS-bb423b95-6
0.242
JAG-UCB-a3ef7265-8
0.242
MAK-UNK-10572812-11
0.242
JAN-GHE-5a013bed-7
0.241
DAR-DIA-23aa0b97-16
0.241
NAU-LAT-e1818702-10
0.241
MAT-POS-29385cc1-4
0.240
DAR-DIA-23aa0b97-1
0.240
TRY-UNI-1fd04853-6
0.240
MAR-TRE-e82e6c98-51
0.240
AGN-NEW-cce853d0-2
0.240
MAK-UNK-10572812-8
0.240
RUB-POS-1325a9ea-17
0.240
MAR-UCB-195bc32d-5
0.239
KAL-WAB-eb347ebe-1
0.239
MIC-UNK-66895286-1
0.239
UNK-UNK-2ede4078-6
0.239
JAN-GHE-5a013bed-8
0.239
PET-UNK-158bee2a-4
0.239
ABI-SAT-30e287c1-2
0.239
MAR-TRE-4b834d9a-76
0.239
DAR-DIA-03336633-14
0.238
MAR-TRE-6c5ef77a-51
0.238
MIC-UNK-67d4a29a-2
0.238
RUB-POS-1325a9ea-13
0.237
EDJ-MED-c8e7a002-14
0.237
MAR-TRE-3159af1a-33
0.237
ROB-UNI-daaf9793-1
0.237
MAT-POS-e1b5ac6b-1
0.237
JAG-UCB-a3ef7265-4
0.237
AGN-NEW-c7b24fe3-4
0.237
MIC-UNK-66895286-2
0.236
TRY-UNI-1fd04853-10
0.235
MAT-POS-14ad9fe9-1
0.235
ANT-DIA-3c79be55-1
0.235
SID-ELM-b654bfa2-14
0.235
EDJ-MED-c5ca5386-1
0.235
JIN-POS-6dc588a4-12
0.235
EDJ-MED-c8e7a002-7
0.235
EDJ-MED-c8e7a002-8
0.235
EDJ-MED-c8e7a002-9
0.235
EDJ-MED-c8e7a002-17
0.235
MIC-UNK-50cce87d-1
0.235
RUB-POS-1325a9ea-2
0.235