Molecular Properties | |
SMILES: | CN1CC=C(c2noc(CCC(=O)Nc3cccnc3Cl)n2)CC1 |
MW: | 347.11 |
Fraction sp3: | 0.38 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 84.15 |
cLogP: | 2.41 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-5566630668 |
MolPort: | MolPort-007-719-726 |
2-halo pyridine
α-Halogen substituted N-heterocycles
Filter94_2_halo_pyridine
2-chloropyridine
2-halopyridine
halo-pyridine,_-diazoles_and_-triazoles
AAR-POS-0daf6b7e-20
0.370
MAK-UNK-a7b37c5e-3
0.352
MAR-TRE-3e4e6814-41
0.340
MAR-TRE-f6f5f473-30
0.340
MAR-TRE-7f7bb9f0-55
0.337
SID-ELM-8b394441-4
0.333
AGN-NEW-cce853d0-3
0.330
MAR-TRE-d0525fbf-93
0.324
MAR-TRE-9c797165-96
0.320
MAR-TRE-7f7bb9f0-61
0.314
MAR-TRE-7f7bb9f0-23
0.312
MAR-TRE-9c797165-27
0.309
MAR-TRE-3e4e6814-63
0.308
MAR-TRE-7f7bb9f0-42
0.306
AGN-NEW-cce853d0-1
0.305
MAR-TRE-74c6519b-44
0.304
MAR-TRE-67513f76-71
0.299
SID-ELM-8b394441-3
0.297
MAR-TRE-7f7bb9f0-48
0.296
MAR-TRE-d0525fbf-83
0.295
MAR-TRE-9c797165-76
0.294
MAR-TRE-9c797165-49
0.293
MAR-TRE-67513f76-54
0.287
MAR-TRE-3e4e6814-95
0.286
MAR-TRE-67513f76-44
0.283
MAR-TRE-4b834d9a-1
0.280
MAR-TRE-4b834d9a-29
0.275
BEN-VAN-77cef4f8-6
0.264
SIM-DEM-2843056b-7
0.263
BEN-VAN-77cef4f8-5
0.262
MAR-TRE-7f7bb9f0-99
0.260
GAB-REV-70cc3ca5-22
0.257
BEN-VAN-77cef4f8-4
0.254
BEN-VAN-77cef4f8-3
0.250
SIM-DEM-2843056b-3
0.246
BAR-COM-0f94fc3d-31
0.246
BEN-DND-93268d01-4
0.245
SID-ELM-1f105489-6
0.243
AGN-NEW-c7b24fe3-1
0.240
BEN-VAN-77cef4f8-2
0.240
SIM-DEM-2843056b-6
0.239
SID-ELM-1f105489-9
0.238
AGN-NEW-c7b24fe3-2
0.238
AAR-POS-d2a4d1df-20
0.238
ALP-POS-f13221e1-4
0.238
EDG-MED-0da5ad92-14
0.238
MAR-TRE-0fda4e82-89
0.236
GAB-REV-70cc3ca5-11
0.236
CHO-MSK-6e55470f-5
0.235
JIN-POS-6dc588a4-2
0.234
DAR-DIA-842b4336-22
0.234
MAR-TRE-a78003aa-82
0.233
KOV-VNK-5e1a909f-32
0.233
BEN-VAN-77cef4f8-1
0.233
DAR-DIA-842b4336-23
0.231
AGN-NEW-c7b24fe3-4
0.231
AGN-NEW-c7b24fe3-5
0.231
MAR-TRE-7f7bb9f0-96
0.230
NIC-BIO-25446079-3
0.229
SIM-DEM-2843056b-1
0.229
AGN-NEW-c7b24fe3-6
0.229
AGN-NEW-c7b24fe3-3
0.229
BEN-DND-93268d01-7
0.229
KOV-VNK-5e1a909f-31
0.227
MAR-TRE-a78003aa-98
0.226
MAR-TRE-67513f76-66
0.226
MAT-POS-590ac91e-17
0.225
MAR-TRE-3e4e6814-81
0.225
KOV-VNK-5e1a909f-27
0.225
KOV-VNK-5e1a909f-28
0.225
MAR-TRE-7f7bb9f0-95
0.224
BEN-DND-93268d01-5
0.223
MAR-TRE-0fda4e82-90
0.223
MAR-TRE-3e4e6814-17
0.223
SID-ELM-1f105489-17
0.222
MAK-UNK-de8f6d00-1
0.222
KOV-VNK-5e1a909f-21
0.221
ADA-UCB-6c2cb422-4
0.221
JUL-TUD-06b2044f-143
0.220
JON-UNI-bb9dc649-4
0.220
NIC-UNI-f08e2453-1
0.220
MAR-TRE-b77b7921-73
0.220
MAR-TRE-4b834d9a-55
0.219
MAR-TRE-c8530538-47
0.219
KOV-VNK-5e1a909f-20
0.219
SIM-DEM-2843056b-5
0.218
PET-SGC-6016d8e6-1
0.218
MAR-TRE-f6f5f473-27
0.218
ANT-DIA-3c79be55-1
0.218
MAR-TRE-67513f76-25
0.218
PET-SGC-fedd1f79-1
0.218
MAR-TRE-74c6519b-95
0.217
NIC-BIO-ec630548-2
0.217
CHO-MSK-6e55470f-1
0.217
KOV-VNK-5e1a909f-29
0.217
MAT-POS-500ca5bf-1
0.217
BAR-COM-0f94fc3d-27
0.216
SAD-SAT-b55127ae-8
0.216
MAR-TRE-04c86cea-68
0.216
NIC-BIO-ec630548-4
0.216