Molecular Properties | |
SMILES: | Nc1cnc(Cl)c(NC(=O)CC2CCCCC2)c1 |
MW: | 267.76 |
Fraction sp3: | 0.54 |
HBA: | 3 |
HBD: | 2 |
Rotatable Bonds: | 3 |
TPSA: | 68.01 |
cLogP: | 3.2261 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
2-halo pyridine
α-Halogen substituted N-heterocycles
Filter94_2_halo_pyridine
2-chloropyridine
aniline
2-halopyridine
halo-pyridine,_-diazoles_and_-triazoles
SID-ELM-8b394441-18
0.656
SID-ELM-8b394441-17
0.641
SID-ELM-b654bfa2-21
0.629
SID-ELM-8b394441-4
0.538
SID-ELM-2583a2cd-16
0.508
SID-ELM-b654bfa2-8
0.486
TRY-UNI-714a760b-1
0.485
SID-ELM-b654bfa2-9
0.458
ALE-HEI-f28a35b5-6
0.456
TRY-UNI-714a760b-10
0.456
EDG-MED-0da5ad92-4
0.456
SID-ELM-8b394441-2
0.449
SID-ELM-8b394441-24
0.447
CHA-KIN-ceadbd93-2
0.443
SID-ELM-8b394441-5
0.441
SID-ELM-2583a2cd-18
0.440
SID-ELM-8b394441-21
0.434
SID-ELM-8b394441-25
0.434
SID-ELM-8b394441-26
0.434
SID-ELM-8b394441-19
0.429
SID-ELM-8b394441-23
0.429
SID-ELM-2583a2cd-3
0.427
SID-ELM-2583a2cd-12
0.427
SID-ELM-2583a2cd-13
0.421
SID-ELM-8b394441-20
0.418
SID-ELM-2583a2cd-4
0.416
SID-ELM-2583a2cd-21
0.410
SID-ELM-2583a2cd-19
0.408
SID-ELM-2583a2cd-1
0.408
AAR-POS-d2a4d1df-13
0.406
ALE-HEI-f28a35b5-9
0.406
FRA-FAC-9ed5a63a-1
0.406
SID-ELM-8b394441-22
0.405
SID-ELM-2583a2cd-15
0.397
MED-UNK-e6e8ef8a-8
0.393
SID-ELM-b654bfa2-15
0.380
SID-ELM-b654bfa2-20
0.380
CHA-KIN-ceadbd93-6
0.378
SID-ELM-b654bfa2-16
0.375
SID-ELM-b654bfa2-14
0.375
SID-ELM-2583a2cd-2
0.372
SID-ELM-b654bfa2-13
0.367
SID-ELM-b654bfa2-10
0.366
MAK-UNK-b2c98f02-1
0.364
DAR-DIA-03336633-5
0.364
SID-ELM-b654bfa2-11
0.362
SID-ELM-b654bfa2-12
0.358
MAK-UNK-b2c98f02-2
0.341
MAK-UNK-b2c98f02-3
0.322
MAK-UNK-b2c98f02-4
0.312
EDG-MED-0da5ad92-9
0.284
VLA-UCB-34f3ed0c-6
0.283
SAD-SAT-cefd50cc-4
0.272
SID-ELM-b654bfa2-1
0.269
MED-UNK-e6e8ef8a-3
0.269
MIC-UNK-bcd487e9-2
0.265
VLA-UCB-05e51b3f-14
0.263
EDJ-MED-c314995a-1
0.263
AAR-POS-0daf6b7e-20
0.261
MAT-POS-136e7878-1
0.260
MAT-POS-136e7878-2
0.260
SID-ELM-8b394441-7
0.259
JOR-UNI-2fc98d0b-12
0.255
ALP-POS-3b848b35-4
0.255
MIC-UNK-c66144cb-3
0.255
MED-UNK-e6e8ef8a-2
0.253
FRA-FAC-9ed5a63a-2
0.253
MAT-POS-590ac91e-23
0.253
ADA-UCB-dc2b944c-17
0.252
ADA-UCB-dc2b944c-3
0.252
MAT-POS-590ac91e-24
0.250
TRY-UNI-714a760b-7
0.250
SID-ELM-8b394441-6
0.250
MAK-UNK-c749d764-26
0.250
MAT-POS-53907a1c-2
0.250
PET-SGC-a3e47117-1
0.247
SAN-PRS-52b81272-1
0.247
MAR-TRE-74c6519b-44
0.245
ADA-UCB-dc2b944c-2
0.243
MAR-TRE-f6f5f473-28
0.241
ALP-POS-3fc1724e-7
0.240
JOR-UNI-61e7b1d5-19
0.240
PET-UNK-a17c93d1-1
0.240
YOI-UNK-4c10088f-1
0.239
MAK-UNK-c749d764-12
0.239
MAK-UNK-ffc90da7-2
0.239
DAR-DIA-1d7f034a-1
0.239
MAR-UCB-ad2ff052-3
0.239
MAR-TRE-9c797165-96
0.238
YOI-UNK-97f54f0c-1
0.237
JOR-UNI-61e7b1d5-20
0.237
JOR-UNI-61e7b1d5-21
0.235
MAT-POS-53907a1c-3
0.235
JOR-UNI-61e7b1d5-18
0.235
SAD-SAT-edc8a235-1
0.234
MAR-TRE-74c6519b-48
0.234
MIC-UNK-bcd487e9-3
0.232
MIC-UNK-5d22d78d-4
0.232
MAR-TRE-3e4e6814-63
0.231
ALE-HEI-f28a35b5-8
0.231