Molecular Properties | |
SMILES: | O=C(CC1CCCCC1)Nc1c(Cl)ncc2ncccc12 |
MW: | 303.793 |
Fraction sp3: | 0.44 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 54.88 |
cLogP: | 4.1921 |
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-b654bfa2-10
0.671
SID-ELM-8b394441-19
0.622
SID-ELM-8b394441-26
0.566
SID-ELM-2583a2cd-21
0.558
SID-ELM-8b394441-21
0.545
SID-ELM-8b394441-25
0.526
SID-ELM-8b394441-9
0.506
SID-ELM-8b394441-4
0.486
SID-ELM-8b394441-24
0.481
SID-ELM-8b394441-22
0.458
SID-ELM-b654bfa2-15
0.434
SID-ELM-b654bfa2-16
0.429
SID-ELM-8b394441-2
0.429
ALE-HEI-f28a35b5-9
0.427
AAR-POS-d2a4d1df-13
0.427
FRA-FAC-9ed5a63a-1
0.427
SID-ELM-8b394441-17
0.420
SID-ELM-8b394441-16
0.418
SID-ELM-8b394441-23
0.412
SID-ELM-b654bfa2-11
0.400
SID-ELM-8b394441-18
0.398
SID-ELM-b654bfa2-12
0.395
SID-ELM-b654bfa2-14
0.395
CHA-KIN-ceadbd93-2
0.388
SID-ELM-b654bfa2-20
0.384
EDG-MED-0da5ad92-4
0.380
TRY-UNI-714a760b-10
0.380
ALE-HEI-f28a35b5-6
0.380
SID-ELM-2583a2cd-3
0.376
SID-ELM-2583a2cd-13
0.372
MAK-UNK-b2c98f02-1
0.354
SID-ELM-b654bfa2-21
0.354
SID-ELM-2583a2cd-4
0.352
MED-UNK-e6e8ef8a-8
0.351
SID-ELM-2583a2cd-16
0.350
SID-ELM-2583a2cd-1
0.345
SID-ELM-2583a2cd-2
0.345
SID-ELM-2583a2cd-12
0.345
SID-ELM-2583a2cd-19
0.341
SID-ELM-b654bfa2-8
0.341
SID-ELM-b654bfa2-13
0.341
TRY-UNI-714a760b-1
0.337
SID-ELM-b654bfa2-9
0.337
CHA-KIN-ceadbd93-6
0.337
SID-ELM-b654bfa2-4
0.333
SID-ELM-2583a2cd-15
0.333
DAR-DIA-03336633-5
0.327
SID-ELM-2583a2cd-18
0.326
MAK-UNK-b2c98f02-4
0.320
MAK-UNK-b2c98f02-3
0.316
SID-ELM-8b394441-8
0.315
MED-UNK-e6e8ef8a-3
0.313
MAK-UNK-b2c98f02-2
0.307
MAT-POS-f7918075-3
0.301
MIC-UNK-08cd9c58-1
0.301
MED-UNK-e6e8ef8a-2
0.298
FRA-FAC-9ed5a63a-2
0.298
COM-UCB-1ef4e90e-16
0.283
VLA-UCB-34f3ed0c-6
0.280
SID-ELM-8b394441-15
0.278
SAN-PRS-52b81272-1
0.277
JOR-UNI-2fc98d0b-12
0.267
SID-ELM-2583a2cd-20
0.267
MIC-UNK-c66144cb-3
0.266
ALP-POS-3b848b35-4
0.266
ADA-UCB-dc2b944c-3
0.264
ADA-UCB-dc2b944c-17
0.264
WAR-XCH-bdd24732-36
0.263
DAR-DIA-23aa0b97-18
0.263
MAK-UNK-b2c98f02-9
0.262
ALE-HEI-f28a35b5-8
0.262
MAR-TRE-f6f5f473-16
0.262
VLA-UCB-05e51b3f-14
0.262
EDJ-MED-c314995a-1
0.262
SID-ELM-8b394441-10
0.261
AAR-POS-0daf6b7e-20
0.260
NIC-BIO-25446079-2
0.258
MED-UNK-e6e8ef8a-5
0.256
IAN-BAS-b0010df8-1
0.255
ADA-UCB-dc2b944c-2
0.254
MAR-TRE-f6f5f473-53
0.252
MIC-UNK-bcd487e9-2
0.252
MAT-POS-173a45da-1
0.252
JOR-UNI-61e7b1d5-19
0.252
MAK-UNK-c749d764-26
0.250
MAR-TRE-b77b7921-22
0.250
JOR-UNI-61e7b1d5-18
0.248
MAR-TRE-b77b7921-59
0.248
MAT-POS-136e7878-1
0.248
MAR-TRE-3159af1a-49
0.248
MAR-TRE-b77b7921-53
0.247
KEI-TRE-d5e2018a-77
0.247
TRY-UNI-1fd04853-7
0.247
MED-UNK-e6e8ef8a-4
0.247
MAT-POS-53907a1c-3
0.246
SAD-SAT-cefd50cc-4
0.245
MAR-TRE-04c86cea-36
0.243
NIC-BIO-ec630548-3
0.243
JIN-POS-6dc588a4-2
0.242
SID-ELM-1f105489-17
0.242