Molecular Properties | |
SMILES: | O=C(CC1CCCCC1)Nc1c(Cl)ncc2ncncc12 |
MW: | 304.781 |
Fraction sp3: | 0.47 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 67.77 |
cLogP: | 3.5871 |
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-b654bfa2-16
0.662
SID-ELM-8b394441-20
0.622
SID-ELM-8b394441-25
0.560
SID-ELM-2583a2cd-13
0.547
SID-ELM-8b394441-26
0.539
SID-ELM-8b394441-21
0.539
SID-ELM-8b394441-24
0.494
SID-ELM-8b394441-8
0.494
SID-ELM-b654bfa2-10
0.429
SID-ELM-8b394441-16
0.429
SID-ELM-b654bfa2-14
0.422
SID-ELM-8b394441-22
0.417
SID-ELM-8b394441-17
0.412
SID-ELM-b654bfa2-15
0.410
SID-ELM-8b394441-18
0.407
SID-ELM-2583a2cd-21
0.405
SID-ELM-8b394441-4
0.403
SID-ELM-b654bfa2-11
0.393
SID-ELM-b654bfa2-20
0.393
SID-ELM-8b394441-23
0.388
SID-ELM-2583a2cd-12
0.386
AAR-POS-d2a4d1df-13
0.382
ALE-HEI-f28a35b5-9
0.382
FRA-FAC-9ed5a63a-1
0.382
CHA-KIN-ceadbd93-2
0.380
SID-ELM-2583a2cd-16
0.377
TRY-UNI-714a760b-10
0.372
EDG-MED-0da5ad92-4
0.372
ALE-HEI-f28a35b5-6
0.372
SID-ELM-2583a2cd-3
0.369
SID-ELM-2583a2cd-19
0.367
TRY-UNI-714a760b-1
0.362
SID-ELM-b654bfa2-21
0.362
SID-ELM-2583a2cd-15
0.358
SID-ELM-b654bfa2-12
0.356
SID-ELM-2583a2cd-2
0.353
SID-ELM-2583a2cd-1
0.353
SID-ELM-8b394441-2
0.350
SID-ELM-b654bfa2-8
0.349
SID-ELM-2583a2cd-18
0.349
SID-ELM-b654bfa2-9
0.345
SID-ELM-b654bfa2-13
0.333
CHA-KIN-ceadbd93-6
0.330
SID-ELM-2583a2cd-4
0.330
SID-ELM-b654bfa2-22
0.322
DAR-DIA-03336633-5
0.320
MED-UNK-e6e8ef8a-8
0.302
MAK-UNK-b2c98f02-3
0.296
MAK-UNK-b2c98f02-1
0.293
MAK-UNK-b2c98f02-4
0.287
MAK-UNK-b2c98f02-2
0.287
SID-ELM-8b394441-9
0.281
MED-UNK-e6e8ef8a-3
0.274
VLA-UCB-34f3ed0c-6
0.262
FRA-FAC-9ed5a63a-2
0.259
MED-UNK-e6e8ef8a-2
0.259
SAD-SAT-cefd50cc-4
0.250
MIC-UNK-c66144cb-3
0.248
ALP-POS-3b848b35-4
0.248
JOR-UNI-2fc98d0b-12
0.248
SID-ELM-2583a2cd-17
0.247
ADA-UCB-dc2b944c-17
0.245
ADA-UCB-dc2b944c-3
0.245
MAR-TRE-92684b97-83
0.244
EDJ-MED-c314995a-1
0.243
VLA-UCB-05e51b3f-14
0.243
SID-ELM-8b394441-15
0.242
SID-ELM-8b394441-10
0.239
SAN-PRS-52b81272-1
0.238
MAT-POS-ea426761-43
0.237
ADA-UCB-dc2b944c-2
0.237
SID-ELM-1f105489-15
0.234
MAT-POS-173a45da-1
0.234
MIC-UNK-bcd487e9-2
0.234
MAT-POS-53907a1c-2
0.232
EDG-MED-0da5ad92-9
0.231
YOI-UNK-4c10088f-1
0.231
MAK-UNK-c749d764-26
0.230
MAT-POS-53907a1c-3
0.230
MAT-POS-136e7878-2
0.229
MAT-POS-136e7878-1
0.229
SID-ELM-8b394441-14
0.228
COM-UCB-1ef4e90e-16
0.225
MAK-UNK-f2409524-10
0.225
MAR-TRE-9d18ae8c-23
0.224
MAK-UNK-748f8b7a-7
0.224
MAK-UNK-f2409524-7
0.223
JOR-UNI-61e7b1d5-19
0.223
PET-UNK-a17c93d1-1
0.223
MAR-UCB-ad2ff052-3
0.222
DAR-DIA-1d7f034a-1
0.222
MAR-TRE-e82e6c98-61
0.221
ALP-POS-64a710fa-1
0.220
MAK-UNK-c749d764-12
0.220
MAK-UNK-ffc90da7-2
0.220
MAK-UNK-b2c98f02-9
0.219
SID-ELM-1f105489-7
0.219
MAK-UNK-f2409524-3
0.219
MAK-UNK-f2409524-9
0.218
MED-UNK-e6e8ef8a-5
0.218