Molecular Properties | |
SMILES: | O=C(CC1CCCCC1)Nc1c(F)ncc2[nH]ccc12 |
MW: | 275.327 |
Fraction sp3: | 0.47 |
HBA: | 2 |
HBD: | 2 |
Rotatable Bonds: | 3 |
TPSA: | 57.78 |
cLogP: | 3.6109 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
2-halo pyridine
α-Halogen substituted N-heterocycles
Filter94_2_halo_pyridine
2-halopyridine
SID-ELM-8b394441-21
0.657
SID-ELM-b654bfa2-14
0.625
SID-ELM-b654bfa2-20
0.568
SID-ELM-b654bfa2-10
0.545
SID-ELM-b654bfa2-16
0.539
SID-ELM-2583a2cd-1
0.520
SID-ELM-b654bfa2-17
0.507
SID-ELM-b654bfa2-15
0.468
SID-ELM-8b394441-24
0.463
SID-ELM-8b394441-25
0.450
SID-ELM-b654bfa2-12
0.444
SID-ELM-b654bfa2-8
0.442
SID-ELM-b654bfa2-21
0.440
SID-ELM-8b394441-2
0.427
SID-ELM-b654bfa2-13
0.420
SID-ELM-b654bfa2-9
0.418
AAR-POS-d2a4d1df-13
0.405
ALE-HEI-f28a35b5-9
0.405
FRA-FAC-9ed5a63a-1
0.405
SID-ELM-8b394441-20
0.400
SID-ELM-8b394441-26
0.398
TRY-UNI-714a760b-10
0.395
ALE-HEI-f28a35b5-6
0.395
EDG-MED-0da5ad92-4
0.395
SID-ELM-8b394441-19
0.393
SID-ELM-2583a2cd-12
0.390
SID-ELM-2583a2cd-18
0.386
SID-ELM-2583a2cd-16
0.382
SID-ELM-8b394441-22
0.372
SID-ELM-8b394441-4
0.372
SID-ELM-2583a2cd-19
0.372
CHA-KIN-ceadbd93-2
0.367
SID-ELM-8b394441-17
0.366
SID-ELM-8b394441-16
0.362
SID-ELM-2583a2cd-21
0.360
SID-ELM-2583a2cd-2
0.357
SID-ELM-2583a2cd-13
0.353
TRY-UNI-714a760b-1
0.350
SID-ELM-2583a2cd-15
0.346
SID-ELM-8b394441-18
0.345
SID-ELM-8b394441-23
0.345
SID-ELM-2583a2cd-3
0.341
SID-ELM-2583a2cd-4
0.333
SID-ELM-8b394441-10
0.329
CHA-KIN-ceadbd93-6
0.319
MAK-UNK-b2c98f02-3
0.312
DAR-DIA-03336633-5
0.309
MAK-UNK-b2c98f02-1
0.309
MED-UNK-e6e8ef8a-8
0.305
MAK-UNK-b2c98f02-4
0.290
MAK-UNK-b2c98f02-2
0.290
SID-ELM-b654bfa2-18
0.284
FRA-FAC-9ed5a63a-2
0.277
MED-UNK-e6e8ef8a-2
0.277
MED-UNK-e6e8ef8a-3
0.277
EDG-MED-0da5ad92-9
0.276
SID-ELM-b654bfa2-19
0.261
MAR-TRE-b77b7921-59
0.255
LYN-UNI-c2dd631d-2
0.247
RUB-POS-1325a9ea-18
0.245
JIN-POS-6dc588a4-12
0.245
MAR-TRE-b77b7921-53
0.242
KEI-TRE-d5e2018a-77
0.242
NIM-UNI-310206f0-56
0.241
SAN-PRS-52b81272-1
0.241
VLA-UCB-34f3ed0c-6
0.241
FRA-LAB-04e32718-1
0.240
NAU-LAT-356bd3c2-8
0.240
SID-ELM-b654bfa2-22
0.239
JOR-UNI-2fc98d0b-12
0.238
SID-ELM-2583a2cd-8
0.236
MED-UNK-e6e8ef8a-5
0.235
MAR-TRE-67513f76-90
0.233
MAR-TRE-92684b97-83
0.233
WAR-XCH-bdd24732-36
0.232
JOR-UNI-61e7b1d5-18
0.231
MAT-POS-136e7878-1
0.231
GAB-REV-70cc3ca5-6
0.229
MAT-UCB-70f7c0f7-5
0.229
SID-ELM-b654bfa2-4
0.228
SAD-SAT-cefd50cc-4
0.228
BEN-VAN-d2b455e2-15
0.228
MED-UNK-e6e8ef8a-4
0.227
ALE-HEI-f28a35b5-8
0.226
JOR-UNI-61e7b1d5-19
0.225
BAR-COM-0f94fc3d-22
0.224
MAR-TRE-f6f5f473-53
0.223
MAR-TRE-b77b7921-22
0.222
EDJ-MED-c314995a-1
0.222
VLA-UCB-05e51b3f-14
0.222
MAK-UNK-b2c98f02-9
0.221
JOR-UNI-61e7b1d5-20
0.221
ALE-HEI-f28a35b5-7
0.221
TRY-UNI-714a760b-11
0.221
MED-UNK-e6e8ef8a-7
0.221
MED-UNK-e6e8ef8a-1
0.221
MAT-POS-136e7878-2
0.220
MAK-UNK-c749d764-26
0.220
MAK-UNK-f2409524-1
0.220
MAK-UNK-f2409524-26
0.220