Molecular Properties | |
SMILES: | O=C(CC1CCCCC1)Nc1c(F)ncc2[nH]ncc12 |
MW: | 276.315 |
Fraction sp3: | 0.5 |
HBA: | 3 |
HBD: | 2 |
Rotatable Bonds: | 3 |
TPSA: | 70.67 |
cLogP: | 3.0059 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
2-halo pyridine
α-Halogen substituted N-heterocycles
Filter94_2_halo_pyridine
2-halopyridine
SID-ELM-8b394441-25
0.671
SID-ELM-b654bfa2-11
0.625
SID-ELM-b654bfa2-16
0.553
SID-ELM-b654bfa2-20
0.539
SID-ELM-b654bfa2-10
0.519
SID-ELM-2583a2cd-12
0.513
SID-ELM-b654bfa2-18
0.481
SID-ELM-b654bfa2-15
0.463
SID-ELM-8b394441-21
0.463
SID-ELM-8b394441-24
0.457
SID-ELM-b654bfa2-8
0.436
SID-ELM-b654bfa2-21
0.434
SID-ELM-b654bfa2-13
0.432
SID-ELM-b654bfa2-9
0.430
SID-ELM-b654bfa2-12
0.422
SID-ELM-8b394441-19
0.422
SID-ELM-8b394441-26
0.410
SID-ELM-8b394441-2
0.403
SID-ELM-8b394441-20
0.395
SID-ELM-8b394441-4
0.385
SID-ELM-8b394441-17
0.378
SID-ELM-8b394441-16
0.375
SID-ELM-8b394441-18
0.373
SID-ELM-8b394441-23
0.372
SID-ELM-2583a2cd-1
0.369
SID-ELM-2583a2cd-2
0.369
SID-ELM-8b394441-22
0.368
SID-ELM-2583a2cd-19
0.367
SID-ELM-2583a2cd-18
0.365
FRA-FAC-9ed5a63a-1
0.364
AAR-POS-d2a4d1df-13
0.364
ALE-HEI-f28a35b5-9
0.364
TRY-UNI-714a760b-1
0.362
SID-ELM-2583a2cd-16
0.359
EDG-MED-0da5ad92-4
0.354
ALE-HEI-f28a35b5-6
0.354
TRY-UNI-714a760b-10
0.354
SID-ELM-2583a2cd-13
0.349
CHA-KIN-ceadbd93-2
0.346
SID-ELM-2583a2cd-15
0.341
SID-ELM-2583a2cd-21
0.341
SID-ELM-2583a2cd-3
0.337
SID-ELM-2583a2cd-4
0.315
SID-ELM-8b394441-14
0.314
MED-UNK-e6e8ef8a-8
0.302
CHA-KIN-ceadbd93-6
0.301
MAK-UNK-b2c98f02-3
0.296
SID-ELM-b654bfa2-17
0.295
DAR-DIA-03336633-5
0.293
MAK-UNK-b2c98f02-1
0.293
MAK-UNK-b2c98f02-2
0.275
MAK-UNK-b2c98f02-4
0.275
EDG-MED-0da5ad92-9
0.258
RUB-POS-1325a9ea-18
0.255
VLA-UCB-34f3ed0c-6
0.250
ROD-LAS-d5538ff9-3
0.247
RUB-POS-1325a9ea-13
0.245
MAR-TRE-92684b97-83
0.244
FRA-FAC-9ed5a63a-2
0.244
MED-UNK-e6e8ef8a-2
0.244
MED-UNK-e6e8ef8a-3
0.244
SAD-SAT-edc8a235-1
0.243
MAR-TRE-67513f76-70
0.240
SAD-SAT-cefd50cc-4
0.238
SID-ELM-b654bfa2-22
0.237
JOR-UNI-2fc98d0b-12
0.235
BAR-COM-0f94fc3d-22
0.235
MAK-UNK-f2409524-9
0.233
VLA-UCB-05e51b3f-14
0.231
EDJ-MED-c314995a-1
0.231
YOI-UNK-4c10088f-1
0.231
SID-ELM-b654bfa2-19
0.231
MAT-POS-199e2e7c-2
0.229
MAR-TRE-b77b7921-59
0.229
MAT-POS-136e7878-1
0.229
MAK-UNK-f2409524-15
0.228
ALP-POS-3fc1724e-8
0.227
MAT-UCB-93f6aed8-2
0.225
MIC-UNK-66895286-3
0.225
MAK-UNK-748f8b7a-7
0.224
SAN-PRS-52b81272-1
0.224
VLA-UCB-00f2c2b3-7
0.223
MAR-TRE-fd17a9b8-96
0.220
SID-ELM-2583a2cd-10
0.220
NIM-UNI-310206f0-56
0.218
BAR-COM-0f94fc3d-39
0.218
MAK-UNK-f2409524-1
0.218
MAK-UNK-f2409524-26
0.218
MAK-UNK-c749d764-26
0.218
JOH-UNI-2440d4f3-3
0.218
MAR-TRE-67513f76-90
0.217
ZAC-WAB-d55a3c2e-1
0.217
ZAC-WAB-2baeb60f-1
0.217
MIC-UNK-d935700b-2
0.216
WAR-XCH-bdd24732-36
0.216
LYN-UNI-c2dd631d-2
0.216
MAR-TRE-74c6519b-48
0.216
MAR-TRE-f5c2d31c-93
0.214
ALP-POS-3b848b35-4
0.214
MAR-TRE-b77b7921-53
0.214