Molecular Properties | |
SMILES: | O=C(Nc1ccccc1)Nc1c(Cl)ncc2ncncc12 |
MW: | 299.721 |
Fraction sp3: | 0.0 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 2 |
TPSA: | 79.8 |
cLogP: | 3.3222 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
2-halo pyridine
α-Halogen substituted N-heterocycles
Filter94_2_halo_pyridine
2-chloropyridine
2-halopyridine
halo-pyridine,_-diazoles_and_-triazoles
SID-ELM-b654bfa2-22
0.647
SID-ELM-8b394441-9
0.609
SID-ELM-8b394441-14
0.528
SID-ELM-8b394441-15
0.528
SID-ELM-2583a2cd-17
0.521
SID-ELM-8b394441-10
0.500
SID-ELM-8b394441-19
0.494
SID-ELM-8b394441-13
0.493
HAN-NEW-5f56c3bc-1
0.443
SID-ELM-8b394441-5
0.411
SID-ELM-b654bfa2-4
0.405
SID-ELM-8b394441-6
0.400
SID-ELM-2583a2cd-20
0.397
SID-ELM-8b394441-3
0.394
SID-ELM-8b394441-11
0.392
SID-ELM-8b394441-7
0.390
SID-ELM-b654bfa2-18
0.388
SID-ELM-b654bfa2-7
0.375
AAR-POS-d2a4d1df-11
0.368
SID-ELM-2583a2cd-10
0.367
SID-ELM-2583a2cd-5
0.366
SID-ELM-b654bfa2-19
0.362
SID-ELM-b654bfa2-17
0.354
SID-ELM-8b394441-12
0.354
TRY-UNI-714a760b-4
0.351
ALE-HEI-f28a35b5-1
0.351
SID-ELM-2583a2cd-11
0.350
WIL-UNI-5578df48-11
0.350
SID-ELM-2583a2cd-6
0.342
TRY-UNI-714a760b-8
0.342
WIL-UNI-5578df48-9
0.341
SID-ELM-8b394441-1
0.338
WIL-UNI-5578df48-12
0.333
SID-ELM-b654bfa2-1
0.333
SID-ELM-2583a2cd-7
0.333
SID-ELM-2583a2cd-8
0.333
SID-ELM-2583a2cd-9
0.329
WIL-UNI-5578df48-10
0.329
SID-ELM-b654bfa2-2
0.329
MAK-UNK-129dcd6f-6
0.329
SID-ELM-b654bfa2-5
0.325
SID-ELM-b654bfa2-3
0.325
SID-ELM-b654bfa2-16
0.322
PET-SGC-0f1d26ed-1
0.321
SID-ELM-2583a2cd-14
0.317
SID-ELM-2583a2cd-22
0.317
MAK-UNK-30aad1f1-3
0.315
SID-ELM-8b394441-20
0.315
MAK-UNK-30aad1f1-17
0.313
MAK-UNK-129dcd6f-1
0.311
WAR-XCH-b0339bbe-20
0.311
WAR-XCH-79d12f6e-10
0.311
MAK-UNK-129dcd6f-15
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
MAK-UNK-129dcd6f-17
0.307
MAR-TRE-9d18ae8c-52
0.303
HAN-NEW-5f56c3bc-3
0.299
DAR-DIA-03336633-1
0.299
ROD-LAS-d5538ff9-9
0.299
SID-ELM-b654bfa2-6
0.298
WIL-UNI-5578df48-13
0.297
MAX-MCD-16e3709a-1
0.294
MAK-UNK-129dcd6f-18
0.293
DAR-DIA-03336633-11
0.292
MAR-TRE-4f781e27-49
0.291
WAR-XCH-79d12f6e-3
0.289
PET-SGC-0f1d26ed-2
0.286
MAK-UNK-30aad1f1-2
0.286
MAK-UNK-129dcd6f-16
0.286
AAR-UNI-c25c2f1e-46
0.284
GIA-UNK-3f36037a-7
0.282
NIC-UNI-0cb6411b-1
0.281
AAR-UNI-c25c2f1e-51
0.280
WAR-XCH-b0339bbe-9
0.280
MAK-UNK-37f1d6fa-3
0.279
MAK-UNK-37f1d6fa-2
0.277
MAK-UNK-129dcd6f-7
0.275
SAD-SAT-6b5a89f0-8
0.273
CHR-SOS-7098f804-7
0.273
DAR-DIA-fc970077-14
0.271
BAR-COM-4e090d3a-11
0.270
MAK-UNK-de8f6d00-7
0.269
TAT-ENA-80bfd3e5-23
0.266
WIL-UNI-5578df48-6
0.266
DAR-DIA-fc970077-9
0.266
DAR-DIA-03336633-15
0.265
MAK-UNK-d1e89583-2
0.259
AAR-UNI-c25c2f1e-16
0.259
JOH-UNI-522b0723-10
0.258
MAK-UNK-37f1d6fa-4
0.257
WAR-XCH-eb7b662f-3
0.256
BEN-DND-031a96cc-8
0.256
DAR-DIA-23aa0b97-13
0.256
MAR-TRE-e86a56b5-66
0.256
AAR-UNI-c25c2f1e-40
0.256
SID-ELM-2583a2cd-13
0.256