Molecular Properties | |
SMILES: | O=C(Nc1ccccc1)Nc1c(F)ncc2ncncc12 |
MW: | 283.266 |
Fraction sp3: | 0.0 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 2 |
TPSA: | 79.8 |
cLogP: | 2.8079 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
2-halo pyridine
α-Halogen substituted N-heterocycles
Filter94_2_halo_pyridine
2-halopyridine
SID-ELM-8b394441-8
0.647
SID-ELM-b654bfa2-4
0.609
SID-ELM-2583a2cd-17
0.521
SID-ELM-b654bfa2-18
0.521
SID-ELM-b654bfa2-17
0.500
SID-ELM-b654bfa2-16
0.494
SID-ELM-b654bfa2-7
0.486
HAN-NEW-5f56c3bc-1
0.464
SID-ELM-b654bfa2-19
0.434
SID-ELM-b654bfa2-1
0.425
SID-ELM-8b394441-15
0.410
SID-ELM-b654bfa2-5
0.410
SID-ELM-8b394441-9
0.405
SID-ELM-b654bfa2-2
0.400
SID-ELM-b654bfa2-3
0.395
SID-ELM-8b394441-1
0.394
SID-ELM-2583a2cd-20
0.380
SID-ELM-8b394441-13
0.380
SID-ELM-8b394441-14
0.375
AAR-POS-d2a4d1df-11
0.368
SID-ELM-2583a2cd-5
0.366
SID-ELM-b654bfa2-6
0.362
TRY-UNI-714a760b-8
0.360
SID-ELM-8b394441-5
0.355
SID-ELM-8b394441-10
0.354
TRY-UNI-714a760b-4
0.351
ALE-HEI-f28a35b5-1
0.351
WIL-UNI-5578df48-12
0.350
SID-ELM-2583a2cd-10
0.350
SID-ELM-2583a2cd-11
0.350
MAK-UNK-129dcd6f-6
0.346
SID-ELM-2583a2cd-6
0.342
SID-ELM-8b394441-11
0.341
SID-ELM-8b394441-3
0.338
WIL-UNI-5578df48-11
0.333
SID-ELM-2583a2cd-8
0.333
SID-ELM-2583a2cd-7
0.333
SID-ELM-2583a2cd-9
0.329
WIL-UNI-5578df48-10
0.329
SID-ELM-8b394441-6
0.329
WAR-XCH-79d12f6e-3
0.324
SID-ELM-8b394441-19
0.322
PET-SGC-0f1d26ed-1
0.321
SID-ELM-8b394441-7
0.321
SID-ELM-2583a2cd-14
0.317
SID-ELM-2583a2cd-22
0.317
MAK-UNK-30aad1f1-3
0.315
SID-ELM-b654bfa2-10
0.315
ROD-LAS-d5538ff9-9
0.314
MAK-UNK-30aad1f1-17
0.313
MAK-UNK-129dcd6f-1
0.311
MAK-UNK-129dcd6f-15
0.310
WIL-UNI-5578df48-9
0.310
MAK-UNK-30aad1f1-4
0.309
MAK-UNK-30aad1f1-9
0.308
MAK-UNK-30aad1f1-15
0.308
MAK-UNK-30aad1f1-16
0.307
MAK-UNK-129dcd6f-8
0.307
SID-ELM-8b394441-12
0.306
MAR-TRE-9d18ae8c-52
0.303
HAN-NEW-5f56c3bc-3
0.299
DAR-DIA-03336633-1
0.299
MAX-MCD-16e3709a-1
0.294
MAK-UNK-129dcd6f-18
0.293
AAR-UNI-c25c2f1e-79
0.293
MAK-UNK-129dcd6f-17
0.292
DAR-DIA-03336633-11
0.292
MAR-TRE-4f781e27-49
0.291
MAK-UNK-37f1d6fa-2
0.290
PET-SGC-0f1d26ed-2
0.286
MAK-UNK-30aad1f1-2
0.286
WIL-UNI-5578df48-13
0.283
GIA-UNK-3f36037a-7
0.282
NIC-UNI-0cb6411b-1
0.281
DAR-DIA-03336633-15
0.280
MAK-UNK-37f1d6fa-4
0.280
WAR-XCH-b0339bbe-9
0.280
MAK-UNK-37f1d6fa-3
0.279
WAR-XCH-79d12f6e-10
0.276
WAR-XCH-b0339bbe-20
0.276
MAK-UNK-129dcd6f-7
0.275
WIL-UNI-5578df48-7
0.274
MAK-UNK-ae34c249-3
0.272
MAK-UNK-129dcd6f-16
0.272
MAR-TRE-e86a56b5-66
0.272
DAR-DIA-fc970077-14
0.271
AAR-UNI-c25c2f1e-46
0.268
WIL-UNI-5578df48-6
0.266
DAR-DIA-fc970077-9
0.266
AAR-UNI-c25c2f1e-51
0.265
DAR-DIA-23aa0b97-20
0.265
AAR-UNI-c25c2f1e-45
0.264
MAK-UNK-ae34c249-4
0.264
MAK-UNK-de8f6d00-6
0.264
BEN-DND-031a96cc-8
0.256
AAR-UNI-c25c2f1e-40
0.256
WIL-UNI-1faa9b10-3
0.256
SID-ELM-2583a2cd-13
0.256
BAR-COM-4e090d3a-11
0.256
WES-WAB-6f418dc2-1
0.255