Molecular Properties | |
SMILES: | O=C(CC1CCCCC1)Nc1c(F)ncc2nccnc12 |
MW: | 288.326 |
Fraction sp3: | 0.47 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 67.77 |
cLogP: | 3.0728 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
2-halo pyridine
α-Halogen substituted N-heterocycles
Filter94_2_halo_pyridine
2-halopyridine
SID-ELM-8b394441-26
0.657
SID-ELM-b654bfa2-20
0.547
SID-ELM-b654bfa2-10
0.545
SID-ELM-2583a2cd-3
0.541
SID-ELM-b654bfa2-16
0.519
SID-ELM-b654bfa2-7
0.474
SID-ELM-b654bfa2-11
0.468
SID-ELM-b654bfa2-12
0.463
SID-ELM-b654bfa2-14
0.463
SID-ELM-b654bfa2-21
0.459
SID-ELM-8b394441-20
0.434
SID-ELM-8b394441-2
0.427
SID-ELM-b654bfa2-8
0.423
SID-ELM-b654bfa2-13
0.420
SID-ELM-b654bfa2-9
0.418
SID-ELM-8b394441-19
0.410
SID-ELM-2583a2cd-16
0.400
SID-ELM-8b394441-24
0.393
SID-ELM-2583a2cd-2
0.390
SID-ELM-8b394441-22
0.388
ALE-HEI-f28a35b5-9
0.387
FRA-FAC-9ed5a63a-1
0.387
AAR-POS-d2a4d1df-13
0.387
SID-ELM-8b394441-21
0.381
SID-ELM-8b394441-25
0.381
SID-ELM-8b394441-16
0.380
TRY-UNI-714a760b-10
0.377
ALE-HEI-f28a35b5-6
0.377
EDG-MED-0da5ad92-4
0.377
SID-ELM-2583a2cd-21
0.376
SID-ELM-8b394441-4
0.372
SID-ELM-2583a2cd-19
0.372
CHA-KIN-ceadbd93-2
0.367
TRY-UNI-714a760b-1
0.367
SID-ELM-2583a2cd-15
0.362
SID-ELM-2583a2cd-13
0.353
SID-ELM-2583a2cd-18
0.353
SID-ELM-8b394441-17
0.349
SID-ELM-8b394441-18
0.345
SID-ELM-8b394441-23
0.345
CHA-KIN-ceadbd93-6
0.333
SID-ELM-2583a2cd-4
0.333
SID-ELM-2583a2cd-12
0.326
SID-ELM-2583a2cd-1
0.326
DAR-DIA-03336633-5
0.323
MAK-UNK-b2c98f02-3
0.312
MAK-UNK-b2c98f02-1
0.309
MED-UNK-e6e8ef8a-8
0.305
MAK-UNK-b2c98f02-2
0.303
SID-ELM-8b394441-15
0.302
MAK-UNK-b2c98f02-4
0.290
FRA-FAC-9ed5a63a-2
0.262
MED-UNK-e6e8ef8a-2
0.262
MED-UNK-e6e8ef8a-3
0.262
JIN-POS-6dc588a4-10
0.245
SID-ELM-b654bfa2-4
0.242
SAN-PRS-52b81272-1
0.241
MAR-UCB-fd2e172f-2
0.241
SID-ELM-2583a2cd-11
0.236
EDG-MED-0da5ad92-9
0.233
BAR-COM-0f94fc3d-52
0.232
WAR-XCH-bdd24732-36
0.232
MAR-TRE-b77b7921-59
0.231
SAD-SAT-cefd50cc-4
0.228
SID-ELM-b654bfa2-22
0.226
MAR-TRE-f6f5f473-35
0.223
MED-UNK-e6e8ef8a-5
0.221
MAR-TRE-92684b97-83
0.220
SID-ELM-b654bfa2-19
0.220
JOR-UNI-61e7b1d5-18
0.219
MAK-UNK-f2409524-28
0.219
MAT-POS-136e7878-1
0.219
YOI-UNK-97f54f0c-1
0.218
DAR-DIA-03336633-6
0.218
YOI-UNK-4c10088f-1
0.218
NIM-UNI-bb9030bf-10
0.216
MAR-TRE-b77b7921-53
0.216
KEI-TRE-d5e2018a-77
0.216
MAK-UNK-f2409524-30
0.214
JOR-UNI-2fc98d0b-12
0.214
CHA-KIN-f512e507-1
0.214
MED-UNK-e6e8ef8a-4
0.213
MAR-TRE-67513f76-3
0.213
ALE-HEI-f28a35b5-8
0.212
MAR-TRE-f6f5f473-53
0.212
MAR-TRE-b77b7921-22
0.211
WAR-XCH-bdd24732-37
0.211
MAR-TRE-3e4e6814-53
0.210
MAK-UNK-b2c98f02-9
0.210
CHA-KIN-f512e507-2
0.210
JOR-UNI-61e7b1d5-20
0.210
MAR-TRE-4b834d9a-46
0.210
MAT-POS-136e7878-2
0.209
MAK-UNK-f2409524-20
0.208
NAM-UNK-f7c77a48-2
0.208
MAR-TRE-b77b7921-16
0.208
VLA-UCB-34f3ed0c-6
0.207
MED-UNK-e6e8ef8a-7
0.207
ALE-HEI-f28a35b5-7
0.207
AAR-POS-d2a4d1df-12
0.207