Molecular Properties | |
SMILES: | CN(C)c1cnc(F)c(NC(=O)CC2CCCCC2)c1 |
MW: | 279.359 |
Fraction sp3: | 0.6 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 45.23 |
cLogP: | 3.1956 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
2-halo pyridine
α-Halogen substituted N-heterocycles
Filter94_2_halo_pyridine
2-halopyridine
SID-ELM-8b394441-18
0.652
SID-ELM-b654bfa2-8
0.646
SID-ELM-b654bfa2-21
0.625
SID-ELM-8b394441-2
0.537
SID-ELM-2583a2cd-15
0.522
SID-ELM-8b394441-17
0.500
SID-ELM-8b394441-16
0.458
ALE-HEI-f28a35b5-6
0.457
EDG-MED-0da5ad92-4
0.457
TRY-UNI-714a760b-10
0.457
TRY-UNI-714a760b-1
0.444
SID-ELM-b654bfa2-3
0.444
SID-ELM-b654bfa2-13
0.442
SID-ELM-2583a2cd-19
0.431
SID-ELM-8b394441-4
0.431
SID-ELM-b654bfa2-14
0.430
SID-ELM-2583a2cd-3
0.429
CHA-KIN-ceadbd93-2
0.425
SID-ELM-b654bfa2-11
0.418
SID-ELM-b654bfa2-20
0.418
SID-ELM-b654bfa2-15
0.418
SID-ELM-b654bfa2-16
0.412
AAR-POS-d2a4d1df-13
0.408
FRA-FAC-9ed5a63a-1
0.408
ALE-HEI-f28a35b5-9
0.408
SID-ELM-2583a2cd-18
0.405
SID-ELM-2583a2cd-13
0.405
SID-ELM-2583a2cd-16
0.403
SID-ELM-b654bfa2-10
0.402
SID-ELM-2583a2cd-21
0.395
SID-ELM-2583a2cd-2
0.392
SID-ELM-2583a2cd-12
0.392
SID-ELM-2583a2cd-1
0.392
SID-ELM-2583a2cd-4
0.383
SID-ELM-b654bfa2-12
0.378
MAK-UNK-b2c98f02-1
0.367
CHA-KIN-ceadbd93-6
0.365
MED-UNK-e6e8ef8a-8
0.364
SID-ELM-8b394441-23
0.361
DAR-DIA-03336633-5
0.352
SID-ELM-8b394441-25
0.349
SID-ELM-8b394441-26
0.349
SID-ELM-8b394441-21
0.349
SID-ELM-8b394441-19
0.345
SID-ELM-8b394441-24
0.345
SID-ELM-8b394441-20
0.337
MAK-UNK-b2c98f02-2
0.330
SID-ELM-8b394441-22
0.326
MAK-UNK-b2c98f02-3
0.312
MAK-UNK-b2c98f02-4
0.302
SAD-SAT-cefd50cc-4
0.290
EDG-MED-0da5ad92-9
0.289
SID-ELM-8b394441-7
0.280
MAT-POS-136e7878-1
0.278
MED-UNK-e6e8ef8a-2
0.275
MED-UNK-e6e8ef8a-3
0.275
FRA-FAC-9ed5a63a-2
0.275
VLA-UCB-34f3ed0c-6
0.275
SID-ELM-b654bfa2-2
0.272
MAT-POS-ea426761-43
0.264
JOR-UNI-2fc98d0b-12
0.260
MAT-POS-590ac91e-23
0.259
MAT-POS-590ac91e-24
0.256
VLA-UCB-05e51b3f-14
0.255
EDJ-MED-c314995a-1
0.255
MAR-UCB-ad2ff052-3
0.255
DAR-DIA-1d7f034a-1
0.255
MAR-TRE-6a44bbf2-11
0.253
JOR-UNI-61e7b1d5-18
0.253
MAT-POS-136e7878-2
0.252
JOR-UNI-61e7b1d5-19
0.245
MIC-UNK-bcd487e9-2
0.245
MAK-UNK-f2409524-3
0.244
SID-ELM-b654bfa2-1
0.244
MAT-POS-53907a1c-2
0.243
JOR-UNI-61e7b1d5-20
0.242
WAR-XCH-bdd24732-36
0.242
ALP-POS-95b75b4d-10
0.239
MAK-UNK-942dcb71-4
0.239
MED-UNK-e6e8ef8a-4
0.238
SAN-PRS-52b81272-1
0.237
ADA-UCB-dc2b944c-2
0.236
ALP-POS-3fc1724e-7
0.234
ADA-UCB-dc2b944c-3
0.234
PET-UNK-a17c93d1-1
0.234
ADA-UCB-dc2b944c-17
0.234
WAR-XCH-bdd24732-37
0.233
MIH-UNI-6b9ca91a-3
0.232
ALE-HEI-f28a35b5-7
0.232
MED-UNK-e6e8ef8a-5
0.232
TRY-UNI-714a760b-11
0.232
EDJ-MED-6e43a462-13
0.232
MAK-UNK-f2409524-20
0.231
MAR-TRE-92684b97-39
0.230
MAR-TRE-92684b97-83
0.230
MAK-UNK-c749d764-26
0.229
MAT-POS-53907a1c-3
0.229
MIC-UNK-ea979c74-4
0.229
MAR-TRE-b77b7921-73
0.229
JOR-UNI-61e7b1d5-21
0.229