Molecular Properties | |
SMILES: | CNc1cnc(Cl)c(NC(=O)CC2CCCCC2)c1 |
MW: | 281.787 |
Fraction sp3: | 0.57 |
HBA: | 3 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 54.02 |
cLogP: | 3.6856 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
2-halo pyridine
α-Halogen substituted N-heterocycles
Filter94_2_halo_pyridine
2-chloropyridine
2-halopyridine
halo-pyridine,_-diazoles_and_-triazoles
SID-ELM-8b394441-18
0.703
SID-ELM-b654bfa2-8
0.646
SID-ELM-8b394441-16
0.641
SID-ELM-2583a2cd-19
0.515
SID-ELM-8b394441-4
0.515
SID-ELM-b654bfa2-9
0.500
SID-ELM-b654bfa2-21
0.465
SID-ELM-2583a2cd-15
0.458
ALE-HEI-f28a35b5-6
0.457
EDG-MED-0da5ad92-4
0.457
TRY-UNI-714a760b-10
0.457
SID-ELM-8b394441-6
0.451
SID-ELM-8b394441-24
0.449
TRY-UNI-714a760b-1
0.444
SID-ELM-2583a2cd-18
0.442
SID-ELM-8b394441-21
0.436
SID-ELM-8b394441-25
0.436
SID-ELM-8b394441-2
0.431
SID-ELM-8b394441-23
0.430
CHA-KIN-ceadbd93-2
0.425
SID-ELM-2583a2cd-16
0.423
SID-ELM-8b394441-20
0.420
SID-ELM-8b394441-26
0.418
SID-ELM-8b394441-19
0.412
SID-ELM-2583a2cd-12
0.410
SID-ELM-2583a2cd-3
0.410
AAR-POS-d2a4d1df-13
0.408
FRA-FAC-9ed5a63a-1
0.408
ALE-HEI-f28a35b5-9
0.408
SID-ELM-2583a2cd-13
0.405
CHA-KIN-ceadbd93-6
0.398
SID-ELM-2583a2cd-21
0.395
SID-ELM-2583a2cd-1
0.392
SID-ELM-b654bfa2-20
0.383
SID-ELM-2583a2cd-4
0.383
SID-ELM-b654bfa2-14
0.378
SID-ELM-2583a2cd-2
0.375
SID-ELM-8b394441-22
0.373
DAR-DIA-03336633-5
0.367
MAK-UNK-b2c98f02-1
0.367
SID-ELM-b654bfa2-11
0.366
MED-UNK-e6e8ef8a-8
0.364
SID-ELM-b654bfa2-13
0.354
SID-ELM-b654bfa2-10
0.353
SID-ELM-b654bfa2-15
0.349
SID-ELM-b654bfa2-16
0.345
MAK-UNK-b2c98f02-3
0.341
MAK-UNK-b2c98f02-2
0.330
MAK-UNK-b2c98f02-4
0.330
SID-ELM-b654bfa2-12
0.329
SID-ELM-8b394441-7
0.312
MED-UNK-e6e8ef8a-3
0.291
SAD-SAT-cefd50cc-4
0.290
EDG-MED-0da5ad92-9
0.289
SID-ELM-b654bfa2-2
0.287
SID-ELM-8b394441-5
0.278
MAT-POS-136e7878-1
0.278
MAT-POS-136e7878-2
0.277
VLA-UCB-34f3ed0c-6
0.275
JOR-UNI-2fc98d0b-12
0.274
MAT-POS-53907a1c-2
0.267
YOI-UNK-4c10088f-1
0.264
MAR-TRE-f6f5f473-28
0.262
MAT-POS-590ac91e-23
0.259
FRA-FAC-9ed5a63a-2
0.259
MED-UNK-e6e8ef8a-2
0.259
JOR-UNI-61e7b1d5-19
0.257
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
ALP-POS-95b75b4d-10
0.253
JOR-UNI-61e7b1d5-18
0.253
AAR-POS-0daf6b7e-20
0.250
BEN-VAN-d2b455e2-16
0.250
ADA-UCB-dc2b944c-2
0.248
RAY-UNI-5365d7e5-1
0.248
DAR-DIA-23e5a6a0-24
0.248
BEN-VAN-d2b455e2-3
0.247
ADA-UCB-dc2b944c-3
0.245
PET-UNK-a17c93d1-1
0.245
ALP-POS-3fc1724e-7
0.245
ADA-UCB-dc2b944c-17
0.245
MIC-UNK-bcd487e9-2
0.245
BEN-VAN-d2b455e2-7
0.244
MAR-TRE-67513f76-90
0.244
JOR-UNI-61e7b1d5-20
0.242
MAR-TRE-f6f5f473-87
0.242
DAR-DIA-23e5a6a0-21
0.240
DAR-DIA-23e5a6a0-22
0.240
JOR-UNI-61e7b1d5-21
0.240
BEN-VAN-d2b455e2-4
0.240
BEN-VAN-d2b455e2-5
0.240
MAR-TRE-f6f5f473-67
0.240
MED-UNK-e6e8ef8a-4
0.238
SAN-PRS-52b81272-1
0.237
CHO-MSK-6e55470f-2
0.237
CHO-MSK-6e55470f-7
0.237
MAR-TRE-d0525fbf-10
0.237