Molecular Properties | |
SMILES: | CN(C)c1cnc(Cl)c(NC(=O)CC2CCCCC2)c1 |
MW: | 295.814 |
Fraction sp3: | 0.6 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 45.23 |
cLogP: | 3.7099 |
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-8b394441-17
0.703
SID-ELM-8b394441-16
0.656
SID-ELM-b654bfa2-9
0.652
SID-ELM-2583a2cd-15
0.536
SID-ELM-b654bfa2-8
0.521
SID-ELM-8b394441-4
0.507
SID-ELM-2583a2cd-19
0.465
SID-ELM-b654bfa2-21
0.458
SID-ELM-8b394441-7
0.452
TRY-UNI-714a760b-10
0.451
EDG-MED-0da5ad92-4
0.451
ALE-HEI-f28a35b5-6
0.451
SID-ELM-8b394441-2
0.444
TRY-UNI-714a760b-1
0.438
SID-ELM-2583a2cd-18
0.436
SID-ELM-8b394441-23
0.425
SID-ELM-8b394441-24
0.425
SID-ELM-2583a2cd-3
0.423
FRA-FAC-9ed5a63a-1
0.423
AAR-POS-d2a4d1df-13
0.423
ALE-HEI-f28a35b5-9
0.423
CHA-KIN-ceadbd93-2
0.419
SID-ELM-2583a2cd-16
0.417
SID-ELM-8b394441-21
0.412
SID-ELM-8b394441-25
0.412
SID-ELM-8b394441-26
0.412
SID-ELM-8b394441-19
0.407
SID-ELM-2583a2cd-12
0.405
SID-ELM-2583a2cd-13
0.400
SID-ELM-8b394441-20
0.398
SID-ELM-2583a2cd-21
0.390
SID-ELM-2583a2cd-1
0.388
SID-ELM-2583a2cd-4
0.378
SID-ELM-b654bfa2-14
0.373
SID-ELM-2583a2cd-2
0.370
SID-ELM-8b394441-22
0.369
SID-ELM-b654bfa2-13
0.366
MAK-UNK-b2c98f02-1
0.363
SID-ELM-b654bfa2-20
0.361
CHA-KIN-ceadbd93-6
0.360
MED-UNK-e6e8ef8a-8
0.360
DAR-DIA-03336633-5
0.348
SID-ELM-b654bfa2-11
0.345
SID-ELM-b654bfa2-15
0.345
SID-ELM-b654bfa2-16
0.341
SID-ELM-b654bfa2-10
0.333
MAK-UNK-b2c98f02-2
0.326
SID-ELM-b654bfa2-12
0.326
MAK-UNK-b2c98f02-4
0.312
MAK-UNK-b2c98f02-3
0.309
MED-UNK-e6e8ef8a-3
0.304
MAT-POS-136e7878-1
0.302
SID-ELM-8b394441-6
0.300
JOR-UNI-2fc98d0b-12
0.298
VLA-UCB-34f3ed0c-6
0.297
SAD-SAT-cefd50cc-4
0.287
MAT-POS-136e7878-2
0.287
EDG-MED-0da5ad92-9
0.286
SID-ELM-b654bfa2-3
0.280
VLA-UCB-05e51b3f-14
0.277
EDJ-MED-c314995a-1
0.277
MAT-POS-53907a1c-2
0.276
JOR-UNI-61e7b1d5-18
0.276
MAR-UCB-ad2ff052-3
0.275
DAR-DIA-1d7f034a-1
0.275
SID-ELM-8b394441-5
0.275
FRA-FAC-9ed5a63a-2
0.272
MED-UNK-e6e8ef8a-2
0.272
MIC-UNK-bcd487e9-2
0.267
JOR-UNI-61e7b1d5-19
0.267
PET-UNK-a17c93d1-1
0.267
JOR-UNI-61e7b1d5-20
0.265
MAT-POS-ea426761-43
0.261
ADA-UCB-dc2b944c-2
0.257
MAT-POS-590ac91e-23
0.256
MAT-POS-173a45da-1
0.255
ALP-POS-3fc1724e-7
0.255
ADA-UCB-dc2b944c-3
0.255
ADA-UCB-dc2b944c-17
0.255
MAT-POS-590ac91e-24
0.253
MED-UNK-e6e8ef8a-4
0.250
JOR-UNI-61e7b1d5-21
0.250
MAR-TRE-6a44bbf2-11
0.250
MAT-POS-53907a1c-3
0.248
AAR-POS-0daf6b7e-20
0.247
CHO-MSK-6e55470f-2
0.246
RAY-UNI-5365d7e5-1
0.245
MAT-UCB-93f6aed8-2
0.245
MIC-UNK-cdc2493e-1
0.245
MED-UNK-e6e8ef8a-5
0.244
EDJ-MED-6e43a462-13
0.242
EDG-MED-0da5ad92-17
0.241
ALF-EVA-650655fc-5
0.240
MAT-POS-90fd5f68-25
0.240
MAK-UNK-c749d764-26
0.240
PET-UNK-d899bab6-1
0.240
MAT-POS-90fd5f68-7
0.240
MAT-UCB-93f6aed8-1
0.239
DAR-DIA-23e5a6a0-22
0.238
MIC-UNK-ea979c74-4
0.237