Molecular Properties | |
SMILES: | O=C(Nc1ccccc1)Nc1c(F)ncc2[nH]cnc12 |
MW: | 271.255 |
Fraction sp3: | 0.0 |
HBA: | 3 |
HBD: | 3 |
Rotatable Bonds: | 2 |
TPSA: | 82.7 |
cLogP: | 2.741 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
2-halo pyridine
α-Halogen substituted N-heterocycles
Filter94_2_halo_pyridine
2-halopyridine
SID-ELM-8b394441-13
0.656
SID-ELM-b654bfa2-17
0.543
SID-ELM-b654bfa2-7
0.529
SID-ELM-b654bfa2-18
0.521
SID-ELM-2583a2cd-9
0.514
SID-ELM-b654bfa2-20
0.480
SID-ELM-b654bfa2-4
0.440
SID-ELM-b654bfa2-22
0.434
SID-ELM-b654bfa2-1
0.423
SID-ELM-8b394441-10
0.421
SID-ELM-b654bfa2-2
0.417
SID-ELM-8b394441-14
0.408
SID-ELM-b654bfa2-5
0.408
AAR-POS-d2a4d1df-11
0.406
SID-ELM-b654bfa2-3
0.392
SID-ELM-8b394441-1
0.391
SID-ELM-b654bfa2-6
0.377
SID-ELM-8b394441-15
0.372
SID-ELM-8b394441-9
0.367
SID-ELM-8b394441-8
0.362
SID-ELM-2583a2cd-5
0.362
HAN-NEW-5f56c3bc-1
0.361
SID-ELM-2583a2cd-6
0.357
SID-ELM-8b394441-11
0.354
SID-ELM-2583a2cd-10
0.346
SID-ELM-2583a2cd-8
0.346
SID-ELM-8b394441-6
0.342
SID-ELM-8b394441-3
0.333
SID-ELM-8b394441-5
0.333
SID-ELM-2583a2cd-11
0.329
WIL-UNI-5578df48-12
0.329
SID-ELM-2583a2cd-14
0.329
SID-ELM-2583a2cd-7
0.329
ALE-HEI-f28a35b5-1
0.329
TRY-UNI-714a760b-4
0.329
TRY-UNI-714a760b-8
0.320
WAR-XCH-79d12f6e-3
0.319
SID-ELM-8b394441-24
0.318
SID-ELM-8b394441-12
0.317
SID-ELM-8b394441-7
0.316
SID-ELM-2583a2cd-17
0.312
MAK-UNK-37f1d6fa-2
0.312
MAK-UNK-30aad1f1-17
0.309
SID-ELM-2583a2cd-20
0.309
WIL-UNI-5578df48-10
0.308
MAX-MCD-16e3709a-1
0.308
MAK-UNK-129dcd6f-6
0.308
AAR-UNI-c25c2f1e-79
0.304
MAK-UNK-129dcd6f-8
0.302
PET-SGC-0f1d26ed-1
0.301
MAK-UNK-37f1d6fa-3
0.300
WIL-UNI-5578df48-7
0.300
SID-ELM-2583a2cd-22
0.296
DAR-DIA-fc970077-14
0.296
WIL-UNI-5578df48-11
0.296
PET-SGC-0f1d26ed-2
0.296
ROD-LAS-d5538ff9-9
0.294
MAK-UNK-129dcd6f-15
0.291
WIL-UNI-5578df48-9
0.291
NIC-UNI-0cb6411b-1
0.290
WAR-XCH-b0339bbe-20
0.288
WAR-XCH-79d12f6e-10
0.288
MAK-UNK-30aad1f1-16
0.287
MAK-UNK-129dcd6f-17
0.287
MAR-TRE-9d18ae8c-52
0.284
MAK-UNK-129dcd6f-7
0.284
MAK-UNK-30aad1f1-3
0.281
MAK-UNK-30aad1f1-2
0.281
MAK-UNK-129dcd6f-16
0.281
MAK-UNK-ae34c249-3
0.280
MAR-TRE-e82e6c98-18
0.279
MAK-UNK-129dcd6f-1
0.278
WIL-UNI-5578df48-13
0.278
WIL-UNI-5578df48-6
0.276
DAR-DIA-fc970077-9
0.276
MAK-UNK-37f1d6fa-4
0.276
GIA-UNK-3f36037a-7
0.275
AAR-UNI-c25c2f1e-51
0.275
MAK-UNK-30aad1f1-15
0.275
MAK-UNK-30aad1f1-9
0.275
MAK-UNK-129dcd6f-18
0.275
MAK-UNK-de8f6d00-8
0.272
WIL-UNI-5578df48-1
0.272
SAN-PRS-52b81272-2
0.270
SAN-PRS-52b81272-3
0.270
CAS-DEP-751a2458-6
0.269
CAS-DEP-e179b1f5-2
0.267
BEN-DND-031a96cc-8
0.267
WES-WAB-2b40d25a-1
0.266
SAD-SAT-6b5a89f0-8
0.266
AAR-UNI-c25c2f1e-40
0.265
HUB-UNK-9845d277-14
0.264
WES-WAB-6f418dc2-1
0.264
MAK-UNK-30aad1f1-4
0.263
WAR-XCH-b0339bbe-9
0.263
AAR-UNI-c25c2f1e-46
0.263
JIA-UNI-12b1f9ae-1
0.262
AAR-UNI-c25c2f1e-65
0.262
CHR-SOS-7098f804-9
0.262
SID-ELM-b654bfa2-11
0.261