Molecular Properties | |
SMILES: | O=C(CC1CCCCC1)Nc1c(F)ncc2nccn12 |
MW: | 276.315 |
Fraction sp3: | 0.5 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 59.29 |
cLogP: | 2.7773 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
α-Halogen substituted N-heterocycles
2-halopyridine
SID-ELM-8b394441-23
0.681
SID-ELM-2583a2cd-2
0.569
SID-ELM-b654bfa2-6
0.447
SID-ELM-b654bfa2-21
0.446
SID-ELM-b654bfa2-9
0.442
SID-ELM-8b394441-2
0.432
SID-ELM-b654bfa2-14
0.432
SID-ELM-b654bfa2-8
0.429
SID-ELM-b654bfa2-11
0.420
SID-ELM-b654bfa2-15
0.420
ALE-HEI-f28a35b5-6
0.419
EDG-MED-0da5ad92-4
0.419
TRY-UNI-714a760b-10
0.419
CHA-KIN-ceadbd93-2
0.408
SID-ELM-b654bfa2-10
0.405
SID-ELM-b654bfa2-20
0.402
SID-ELM-b654bfa2-12
0.398
SID-ELM-b654bfa2-16
0.398
SID-ELM-8b394441-4
0.395
ALE-HEI-f28a35b5-9
0.392
FRA-FAC-9ed5a63a-1
0.392
AAR-POS-d2a4d1df-13
0.392
DAR-DIA-03336633-5
0.385
SID-ELM-2583a2cd-19
0.377
SID-ELM-2583a2cd-16
0.368
SID-ELM-8b394441-16
0.367
SID-ELM-8b394441-18
0.366
SID-ELM-2583a2cd-3
0.361
TRY-UNI-714a760b-1
0.354
SID-ELM-8b394441-17
0.354
SID-ELM-2583a2cd-4
0.353
SID-ELM-8b394441-25
0.353
SID-ELM-8b394441-21
0.353
SID-ELM-8b394441-26
0.353
CHA-KIN-ceadbd93-6
0.352
SID-ELM-2583a2cd-15
0.350
SID-ELM-2583a2cd-21
0.349
SID-ELM-8b394441-24
0.349
SID-ELM-8b394441-22
0.345
SID-ELM-2583a2cd-13
0.341
SID-ELM-2583a2cd-18
0.341
SID-ELM-8b394441-20
0.341
SID-ELM-8b394441-19
0.333
SID-ELM-2583a2cd-1
0.329
SID-ELM-2583a2cd-12
0.329
MED-UNK-e6e8ef8a-8
0.323
SID-ELM-8b394441-12
0.318
MAK-UNK-b2c98f02-1
0.312
MAK-UNK-b2c98f02-2
0.306
MAK-UNK-b2c98f02-3
0.302
SAD-SAT-cefd50cc-4
0.295
MAK-UNK-f2409524-6
0.283
MAT-POS-136e7878-1
0.283
MAK-UNK-b2c98f02-4
0.280
JOR-UNI-2fc98d0b-12
0.265
FRA-FAC-9ed5a63a-2
0.265
MED-UNK-e6e8ef8a-2
0.265
EDG-MED-0da5ad92-9
0.264
MAK-UNK-f2409524-28
0.257
ALE-HEI-f28a35b5-7
0.253
TRY-UNI-714a760b-11
0.253
MED-UNK-e6e8ef8a-3
0.250
SAD-SAT-edc8a235-1
0.250
MAK-UNK-f2409524-21
0.248
MAT-POS-590ac91e-24
0.247
JOR-UNI-61e7b1d5-18
0.245
SAN-PRS-52b81272-1
0.244
CHA-KIN-ceadbd93-3
0.241
SID-ELM-2583a2cd-14
0.239
YOI-UNK-4c10088f-1
0.237
VLA-UCB-05e51b3f-14
0.236
EDJ-MED-c314995a-1
0.236
MAT-POS-590ac91e-23
0.235
WAR-XCH-bdd24732-36
0.234
MAT-POS-136e7878-2
0.234
MAK-UNK-f2409524-33
0.233
MAR-TRE-b77b7921-16
0.233
MAR-TRE-b77b7921-59
0.233
MAK-UNK-f2409524-15
0.232
NIM-UNI-bb9030bf-10
0.232
KEI-TRE-d5e2018a-77
0.232
MAR-TRE-b77b7921-53
0.232
PET-SGC-c429dc17-1
0.232
CES-WAB-18e74d70-1
0.232
DAR-DIA-03336633-6
0.231
DAR-DIA-03336633-7
0.231
TRY-UNI-714a760b-16
0.230
MAT-POS-ea426761-43
0.229
ALE-HEI-f28a35b5-8
0.229
MAR-TRE-f6f5f473-53
0.225
MIH-UNI-6b9ca91a-3
0.225
MAT-POS-53907a1c-2
0.225
BEN-DND-22e6b372-4
0.225
MAK-UNK-f2409524-27
0.224
MAK-UNK-c749d764-8
0.224
MED-UNK-e6e8ef8a-5
0.224
MED-UNK-e6e8ef8a-7
0.224
AAR-POS-d2a4d1df-12
0.224
ALP-POS-95b75b4d-4
0.223
MAK-UNK-f2409524-20
0.223