Molecular Properties | |
SMILES: | CNc1cnc(F)c(NC(=O)CC2CCCCC2)c1 |
MW: | 265.332 |
Fraction sp3: | 0.57 |
HBA: | 3 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 54.02 |
cLogP: | 3.1713 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
2-halo pyridine
α-Halogen substituted N-heterocycles
Filter94_2_halo_pyridine
2-halopyridine
SID-ELM-b654bfa2-9
0.646
SID-ELM-8b394441-17
0.646
SID-ELM-b654bfa2-21
0.635
SID-ELM-8b394441-2
0.522
SID-ELM-2583a2cd-19
0.522
SID-ELM-8b394441-18
0.521
SID-ELM-8b394441-16
0.486
ALE-HEI-f28a35b5-6
0.464
EDG-MED-0da5ad92-4
0.464
TRY-UNI-714a760b-10
0.464
SID-ELM-b654bfa2-2
0.457
TRY-UNI-714a760b-1
0.451
SID-ELM-2583a2cd-15
0.444
SID-ELM-b654bfa2-11
0.442
SID-ELM-b654bfa2-20
0.442
SID-ELM-8b394441-4
0.437
SID-ELM-b654bfa2-14
0.436
SID-ELM-2583a2cd-3
0.434
CHA-KIN-ceadbd93-2
0.431
SID-ELM-2583a2cd-16
0.429
SID-ELM-b654bfa2-13
0.429
SID-ELM-2583a2cd-18
0.429
SID-ELM-b654bfa2-15
0.423
SID-ELM-b654bfa2-16
0.418
FRA-FAC-9ed5a63a-1
0.414
AAR-POS-d2a4d1df-13
0.414
ALE-HEI-f28a35b5-9
0.414
SID-ELM-2583a2cd-13
0.410
SID-ELM-b654bfa2-10
0.407
CHA-KIN-ceadbd93-6
0.402
SID-ELM-2583a2cd-21
0.400
SID-ELM-2583a2cd-1
0.397
SID-ELM-2583a2cd-2
0.397
SID-ELM-2583a2cd-12
0.397
SID-ELM-2583a2cd-4
0.388
MED-UNK-e6e8ef8a-8
0.384
SID-ELM-b654bfa2-12
0.383
MAK-UNK-b2c98f02-1
0.371
DAR-DIA-03336633-5
0.371
SID-ELM-8b394441-25
0.370
SID-ELM-8b394441-21
0.370
SID-ELM-8b394441-24
0.366
SID-ELM-8b394441-26
0.354
SID-ELM-8b394441-23
0.349
SID-ELM-8b394441-19
0.349
MAK-UNK-b2c98f02-3
0.344
SID-ELM-8b394441-20
0.341
MAK-UNK-b2c98f02-2
0.333
SID-ELM-8b394441-22
0.329
MAK-UNK-b2c98f02-4
0.319
SAD-SAT-cefd50cc-4
0.293
EDG-MED-0da5ad92-9
0.293
MED-UNK-e6e8ef8a-3
0.278
FRA-FAC-9ed5a63a-2
0.278
MED-UNK-e6e8ef8a-2
0.278
SID-ELM-8b394441-6
0.275
SID-ELM-b654bfa2-3
0.272
ALP-POS-95b75b4d-10
0.270
MAT-POS-136e7878-1
0.268
BEN-VAN-d2b455e2-8
0.267
BEN-VAN-d2b455e2-15
0.266
MAR-TRE-f6f5f473-28
0.265
SID-ELM-b654bfa2-1
0.263
MAT-POS-590ac91e-23
0.263
BEN-VAN-d2b455e2-18
0.260
MAT-POS-590ac91e-24
0.259
MAT-POS-53907a1c-2
0.257
MAT-POS-136e7878-2
0.255
BEN-VAN-d2b455e2-19
0.255
MAK-UNK-f2409524-14
0.253
VLA-UCB-34f3ed0c-6
0.252
MAR-TRE-3e4e6814-82
0.250
JOR-UNI-2fc98d0b-12
0.250
YOI-UNK-4c10088f-1
0.250
JOR-UNI-61e7b1d5-19
0.248
BEN-VAN-d2b455e2-21
0.248
BEN-VAN-d2b455e2-7
0.247
MAR-TRE-67513f76-90
0.247
MAR-UCB-ad2ff052-3
0.245
DAR-DIA-1d7f034a-1
0.245
BEN-VAN-d2b455e2-22
0.245
JOR-UNI-61e7b1d5-18
0.242
BEN-VAN-d2b455e2-4
0.242
MAR-TRE-67513f76-70
0.242
MAR-TRE-b77b7921-53
0.242
KEI-TRE-d5e2018a-77
0.242
JOH-IMS-0780e8d1-1
0.241
MED-UNK-e6e8ef8a-4
0.241
SAN-PRS-52b81272-1
0.241
BEN-VAN-d2b455e2-6
0.240
MAR-TRE-d0525fbf-10
0.239
MAR-TRE-74c6519b-85
0.239
MAR-TRE-7f7bb9f0-98
0.239
JAG-UCB-cedd89ab-9
0.238
MAR-TRE-f6f5f473-76
0.237
BEN-VAN-d2b455e2-3
0.237
MAR-TRE-3e4e6814-96
0.236
ALP-POS-3fc1724e-7
0.236
MAR-TRE-7f7bb9f0-91
0.235
MED-UNK-e6e8ef8a-1
0.235