Molecular Properties | |
SMILES: | O=C(Nc1ccccc1)Nc1c(Cl)ncc2[nH]cnc12 |
MW: | 287.71 |
Fraction sp3: | 0.0 |
HBA: | 3 |
HBD: | 3 |
Rotatable Bonds: | 2 |
TPSA: | 82.7 |
cLogP: | 3.2553 |
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-b654bfa2-19
0.656
SID-ELM-8b394441-10
0.565
SID-ELM-8b394441-14
0.551
SID-ELM-8b394441-15
0.529
SID-ELM-2583a2cd-9
0.514
SID-ELM-8b394441-24
0.493
SID-ELM-8b394441-8
0.493
SID-ELM-8b394441-9
0.479
SID-ELM-b654bfa2-18
0.440
SID-ELM-b654bfa2-17
0.440
SID-ELM-8b394441-11
0.427
SID-ELM-8b394441-6
0.417
SID-ELM-8b394441-5
0.408
AAR-POS-d2a4d1df-11
0.406
SID-ELM-8b394441-12
0.403
SID-ELM-8b394441-3
0.391
SID-ELM-8b394441-7
0.387
SID-ELM-2583a2cd-10
0.382
SID-ELM-b654bfa2-22
0.380
SID-ELM-b654bfa2-7
0.372
SID-ELM-b654bfa2-4
0.367
SID-ELM-2583a2cd-8
0.364
SID-ELM-2583a2cd-5
0.362
HAN-NEW-5f56c3bc-1
0.361
SID-ELM-2583a2cd-6
0.357
SID-ELM-b654bfa2-1
0.347
SID-ELM-b654bfa2-2
0.342
SID-ELM-b654bfa2-5
0.338
SID-ELM-8b394441-1
0.333
WIL-UNI-5578df48-12
0.329
SID-ELM-2583a2cd-14
0.329
SID-ELM-2583a2cd-17
0.329
SID-ELM-2583a2cd-11
0.329
ALE-HEI-f28a35b5-1
0.329
TRY-UNI-714a760b-4
0.329
SID-ELM-2583a2cd-7
0.329
SID-ELM-b654bfa2-6
0.325
SID-ELM-2583a2cd-20
0.325
WAR-XCH-79d12f6e-10
0.324
WAR-XCH-b0339bbe-20
0.324
WIL-UNI-5578df48-9
0.321
SID-ELM-b654bfa2-20
0.321
SID-ELM-b654bfa2-3
0.321
TRY-UNI-714a760b-8
0.320
MAK-UNK-37f1d6fa-2
0.312
MAK-UNK-30aad1f1-17
0.309
MAK-UNK-129dcd6f-6
0.308
WIL-UNI-5578df48-10
0.308
MAX-MCD-16e3709a-1
0.308
MAK-UNK-129dcd6f-15
0.306
NIC-UNI-0cb6411b-1
0.304
MAK-UNK-129dcd6f-8
0.302
MAK-UNK-129dcd6f-17
0.302
PET-SGC-0f1d26ed-1
0.301
DAR-DIA-23aa0b97-15
0.297
WIL-UNI-5578df48-11
0.296
PET-SGC-0f1d26ed-2
0.296
SID-ELM-2583a2cd-22
0.296
AAR-UNI-c25c2f1e-46
0.295
ROD-LAS-d5538ff9-9
0.294
DAR-DIA-fc970077-9
0.293
WIL-UNI-5578df48-13
0.292
AAR-UNI-c25c2f1e-51
0.291
MAK-UNK-de8f6d00-7
0.288
MAK-UNK-30aad1f1-16
0.287
MAK-UNK-37f1d6fa-3
0.287
SAD-SAT-6b5a89f0-8
0.286
MAK-UNK-de8f6d00-8
0.284
MAK-UNK-129dcd6f-7
0.284
MAR-TRE-9d18ae8c-52
0.284
WAR-XCH-eb7b662f-3
0.284
WAR-XCH-79d12f6e-3
0.284
MAK-UNK-30aad1f1-2
0.281
MAK-UNK-30aad1f1-3
0.281
DAR-DIA-fc970077-14
0.280
JOH-UNI-f0df842c-2
0.279
NAU-LAT-356bd3c2-11
0.279
MAK-UNK-129dcd6f-1
0.278
CHR-SOS-7098f804-8
0.278
WIL-UNI-5578df48-6
0.276
JOR-UNI-2fc98d0b-7
0.276
JAN-GHE-83b26c96-19
0.276
WAR-XCH-eb7b662f-7
0.276
DAR-DIA-23aa0b97-14
0.276
TAT-ENA-80bfd3e5-23
0.276
DAR-DIA-842b4336-4
0.276
SID-ELM-8b394441-21
0.276
GIA-UNK-3f36037a-7
0.275
MAK-UNK-30aad1f1-9
0.275
MAK-UNK-30aad1f1-15
0.275
MAK-UNK-129dcd6f-18
0.275
WIL-UNI-5578df48-7
0.268
AAR-UNI-c25c2f1e-16
0.268
CAS-DEP-751a2458-4
0.268
BEN-DND-031a96cc-8
0.267
JOH-UNI-522b0723-10
0.267
MAK-UNK-129dcd6f-16
0.267
CHR-SOS-7098f804-7
0.267
CUN-WAB-25b584ee-2
0.266
WAR-XCH-eb7b662f-4
0.266