Molecular Properties | |
SMILES: | O=C(Nc1ccccc1)Nc1c(F)ncc2ncccc12 |
MW: | 282.278 |
Fraction sp3: | 0.0 |
HBA: | 3 |
HBD: | 2 |
Rotatable Bonds: | 2 |
TPSA: | 66.91 |
cLogP: | 3.4129 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
2-halo pyridine
α-Halogen substituted N-heterocycles
Filter94_2_halo_pyridine
2-halopyridine
SID-ELM-8b394441-9
0.642
SID-ELM-b654bfa2-22
0.609
SID-ELM-b654bfa2-7
0.535
SID-ELM-b654bfa2-17
0.507
SID-ELM-b654bfa2-18
0.507
SID-ELM-b654bfa2-10
0.506
SID-ELM-2583a2cd-20
0.500
SID-ELM-8b394441-1
0.441
SID-ELM-b654bfa2-19
0.440
SID-ELM-b654bfa2-5
0.434
SID-ELM-8b394441-15
0.434
SID-ELM-b654bfa2-1
0.411
SID-ELM-8b394441-8
0.405
AAR-POS-d2a4d1df-11
0.394
SID-ELM-b654bfa2-2
0.387
SID-ELM-b654bfa2-6
0.385
SID-ELM-b654bfa2-3
0.382
SID-ELM-8b394441-3
0.380
HAN-NEW-5f56c3bc-1
0.370
SID-ELM-8b394441-13
0.367
SID-ELM-8b394441-11
0.362
SID-ELM-8b394441-14
0.362
SID-ELM-8b394441-10
0.358
SID-ELM-2583a2cd-11
0.354
SID-ELM-2583a2cd-17
0.354
SID-ELM-2583a2cd-5
0.352
SID-ELM-8b394441-5
0.342
SID-ELM-8b394441-12
0.341
TRY-UNI-714a760b-4
0.338
ALE-HEI-f28a35b5-1
0.338
WIL-UNI-5578df48-12
0.338
ROD-LAS-d5538ff9-9
0.333
MAK-UNK-129dcd6f-6
0.333
SID-ELM-8b394441-6
0.333
SID-ELM-8b394441-20
0.333
TRY-UNI-714a760b-8
0.329
WAR-XCH-79d12f6e-3
0.329
SID-ELM-2583a2cd-6
0.329
SID-ELM-2583a2cd-14
0.321
MAK-UNK-de8f6d00-7
0.320
SID-ELM-2583a2cd-7
0.320
WIL-UNI-5578df48-10
0.316
MAK-UNK-129dcd6f-1
0.315
MAK-UNK-30aad1f1-9
0.311
MAK-UNK-129dcd6f-18
0.311
PET-SGC-0f1d26ed-1
0.310
SID-ELM-8b394441-7
0.309
WIL-UNI-5578df48-11
0.305
SID-ELM-2583a2cd-10
0.305
SID-ELM-2583a2cd-8
0.305
SID-ELM-2583a2cd-22
0.305
DAR-DIA-fc970077-14
0.305
MAK-UNK-de8f6d00-8
0.304
MAK-UNK-de8f6d00-6
0.302
MAK-UNK-30aad1f1-17
0.301
SID-ELM-2583a2cd-9
0.301
MAK-UNK-129dcd6f-15
0.299
WIL-UNI-5578df48-9
0.299
MAX-MCD-16e3709a-1
0.299
MAK-UNK-30aad1f1-15
0.297
AAR-UNI-c25c2f1e-79
0.296
MAK-UNK-129dcd6f-8
0.295
MAK-UNK-129dcd6f-17
0.295
MAK-UNK-37f1d6fa-2
0.293
WIL-UNI-5578df48-7
0.293
PET-SGC-0f1d26ed-2
0.289
MAK-UNK-30aad1f1-3
0.289
MAK-UNK-de8f6d00-1
0.288
MAK-UNK-ae34c249-3
0.287
DAR-DIA-fc970077-9
0.286
WIL-UNI-5578df48-6
0.286
GIA-UNK-3f36037a-7
0.286
NIC-UNI-0cb6411b-1
0.284
AAR-UNI-c25c2f1e-51
0.284
MAK-UNK-30aad1f1-16
0.281
SID-ELM-b654bfa2-16
0.281
WAR-XCH-79d12f6e-10
0.280
WAR-XCH-b0339bbe-20
0.280
DAR-DIA-23aa0b97-18
0.280
MAK-UNK-de8f6d00-3
0.279
CAS-DEP-751a2458-6
0.278
MAK-UNK-129dcd6f-7
0.278
MAR-TRE-9d18ae8c-52
0.278
AAR-UNI-c25c2f1e-16
0.277
BEN-DND-031a96cc-8
0.276
HAN-NEW-5f56c3bc-3
0.276
DAR-DIA-03336633-1
0.276
MAR-UCB-195bc32d-13
0.275
MAK-UNK-30aad1f1-2
0.275
MAK-UNK-129dcd6f-16
0.275
TAM-UNI-c140e31a-19
0.274
AAR-UNI-c25c2f1e-40
0.274
COM-UCB-1ef4e90e-16
0.274
WIL-UNI-5578df48-13
0.272
AAR-UNI-c25c2f1e-64
0.272
AAR-UNI-c25c2f1e-46
0.272
MAK-UNK-37f1d6fa-4
0.271
MAK-UNK-30aad1f1-4
0.271
AAR-UNI-c25c2f1e-65
0.271
MAK-UNK-37f1d6fa-3
0.269