Molecular Properties | |
SMILES: | Cc1cc2nc(SCC(=O)Nc3cccnc3Cl)n(C)c(=O)c2[nH]1 |
MW: | 363.06 |
Fraction sp3: | 0.2 |
HBA: | 6 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 92.67 |
cLogP: | 2.35 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-5353097120 |
MolPort: | MolPort-019-714-265 |
2-halo pyridine
α-Halogen substituted N-heterocycles
Filter82_pyridinium
Filter94_2_halo_pyridine
2-chloropyridine
2-halopyridine
halo-pyridine,_-diazoles_and_-triazoles
MAR-TRE-9c797165-49
0.729
MAR-TRE-7f7bb9f0-48
0.718
MAR-TRE-67513f76-71
0.713
MAR-TRE-9c797165-76
0.697
MAR-TRE-7f7bb9f0-42
0.596
MAR-TRE-9c797165-27
0.454
MAR-TRE-4b834d9a-29
0.429
AAR-POS-0daf6b7e-20
0.403
MAR-TRE-d0525fbf-93
0.402
MAR-TRE-3e4e6814-41
0.378
MAR-TRE-74c6519b-44
0.375
MAR-TRE-d0525fbf-83
0.365
MAR-TRE-67513f76-54
0.360
MAR-TRE-7f7bb9f0-55
0.360
MAR-TRE-3e4e6814-95
0.356
MAK-UNK-a7b37c5e-3
0.349
AGN-NEW-cce853d0-3
0.340
MAR-TRE-f6f5f473-30
0.337
SID-ELM-8b394441-4
0.330
MAR-TRE-7f7bb9f0-61
0.323
MAR-TRE-0fda4e82-89
0.317
MAR-TRE-3e4e6814-63
0.317
MAR-TRE-9c797165-96
0.316
AGN-NEW-cce853d0-1
0.314
MAR-TRE-f5c2d31c-67
0.312
MAR-TRE-9c797165-42
0.312
SID-ELM-8b394441-3
0.307
MAR-TRE-0fda4e82-90
0.301
MAR-TRE-6c5ef77a-96
0.298
EDG-MED-0da5ad92-14
0.298
MAR-TRE-a3327163-92
0.295
MAR-TRE-6c5ef77a-55
0.291
MAR-TRE-4b834d9a-1
0.287
MAR-TRE-0fda4e82-67
0.284
MAR-TRE-1c920f6f-3
0.283
MAR-TRE-0fda4e82-60
0.280
MAR-TRE-1c920f6f-26
0.276
AGN-NEW-c7b24fe3-5
0.276
MAR-TRE-1c920f6f-74
0.275
AGN-NEW-c7b24fe3-6
0.273
MAR-TRE-14ce9fd6-27
0.269
MAR-TRE-f5c2d31c-49
0.267
MAR-TRE-7f7bb9f0-95
0.267
AGN-NEW-c7b24fe3-4
0.263
AGN-NEW-c7b24fe3-1
0.260
AGN-NEW-c7b24fe3-3
0.260
SEL-UNI-8426c22c-2
0.260
MAR-TRE-6c5ef77a-20
0.260
MAR-TRE-6c5ef77a-46
0.260
MAR-TRE-4b834d9a-55
0.259
MAR-TRE-a3327163-61
0.257
AGN-NEW-c7b24fe3-2
0.257
MAR-TRE-a3327163-42
0.253
MAR-TRE-3e4e6814-55
0.252
BAR-COM-0f94fc3d-31
0.252
MAR-TRE-1c920f6f-30
0.250
MAR-TRE-1c920f6f-49
0.250
MAR-TRE-14ce9fd6-43
0.248
MAR-TRE-6c5ef77a-67
0.248
EDG-MED-0da5ad92-21
0.247
MAR-TRE-f6f5f473-71
0.246
MAR-TRE-fd17a9b8-43
0.245
BAR-COM-0f94fc3d-27
0.245
MAR-TRE-4f781e27-57
0.245
MAR-TRE-6c5ef77a-14
0.245
MAT-POS-bb423b95-5
0.245
MAR-TRE-0fda4e82-70
0.243
MAR-TRE-67513f76-30
0.243
DAR-DIA-842b4336-18
0.243
MAR-TRE-6c5ef77a-66
0.243
MAR-TRE-c8530538-58
0.241
MAR-TRE-a3327163-18
0.241
DAR-DIA-842b4336-22
0.240
BEN-VAN-77cef4f8-4
0.240
MAR-TRE-14ce9fd6-37
0.239
MAR-TRE-0fda4e82-29
0.239
MAR-TRE-6c5ef77a-51
0.239
DAR-DIA-842b4336-23
0.238
BEN-VAN-77cef4f8-1
0.238
MAR-TRE-6c5ef77a-26
0.238
MAR-TRE-1c920f6f-42
0.238
MAR-TRE-3159af1a-46
0.237
MAR-TRE-fd17a9b8-88
0.237
MAR-TRE-4b834d9a-95
0.236
MAR-TRE-6c5ef77a-58
0.236
MAR-TRE-0fda4e82-72
0.236
MAT-POS-bb423b95-2
0.236
MAR-TRE-4b834d9a-22
0.235
MAR-TRE-f6f5f473-27
0.235
RED-RED-10c9212c-14
0.235
MAR-TRE-f5c2d31c-10
0.235
VLA-UNK-411a133b-1
0.235
MAR-TRE-4b834d9a-99
0.234
MAR-TRE-0fda4e82-76
0.234
SAD-SAT-b55127ae-8
0.234
MAR-TRE-f6f5f473-93
0.233
MAR-TRE-74c6519b-15
0.233
MIC-UNK-d935700b-1
0.233
MAR-TRE-67513f76-66
0.233
MAR-TRE-1c920f6f-47
0.233