Molecular Properties | |
SMILES: | Cn1c(SCC(=O)Nc2cccnc2Cl)nnc1-c1ccc(Br)o1 |
MW: | 426.95 |
Fraction sp3: | 0.14 |
HBA: | 7 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 85.84 |
cLogP: | 3.62 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-4089473587 |
MolPort: | MolPort-008-307-589 |
2-halo pyridine
α-Halogen substituted N-heterocycles
Filter9_metal
Filter94_2_halo_pyridine
2-chloropyridine
aryl bromide
2-halopyridine
halo-pyridine,_-diazoles_and_-triazoles
MAR-TRE-7f7bb9f0-23
0.454
MAR-TRE-3e4e6814-95
0.423
MAR-TRE-7f7bb9f0-48
0.416
MAR-TRE-9c797165-49
0.412
MAR-TRE-67513f76-71
0.404
AAR-POS-0daf6b7e-20
0.400
MAR-TRE-74c6519b-44
0.400
MAR-TRE-9c797165-76
0.396
MAR-TRE-7f7bb9f0-42
0.390
MAR-TRE-4b834d9a-29
0.387
MAR-TRE-d0525fbf-93
0.385
MAK-UNK-a7b37c5e-3
0.378
SID-ELM-8b394441-4
0.372
MAR-TRE-7f7bb9f0-55
0.357
MAR-TRE-9c797165-96
0.341
AGN-NEW-cce853d0-3
0.337
MAR-TRE-7f7bb9f0-61
0.333
MAR-TRE-3e4e6814-41
0.333
MAR-TRE-f6f5f473-30
0.333
MAR-TRE-d0525fbf-83
0.324
AGN-NEW-cce853d0-1
0.323
MAR-TRE-67513f76-54
0.317
MAR-TRE-3e4e6814-63
0.313
MAR-TRE-0fda4e82-89
0.313
MAR-TRE-9c797165-42
0.309
SID-ELM-8b394441-3
0.302
MAR-TRE-fd17a9b8-43
0.301
MAR-TRE-0fda4e82-90
0.297
MAR-TRE-4b834d9a-1
0.283
MAR-TRE-6c5ef77a-96
0.282
MAR-TRE-f5c2d31c-67
0.281
BAR-COM-0f94fc3d-31
0.271
MAR-TRE-1c920f6f-74
0.270
EDG-MED-0da5ad92-14
0.266
MAR-TRE-1c920f6f-3
0.265
MAR-TRE-f5c2d31c-49
0.263
MAR-TRE-1c920f6f-49
0.257
SEL-UNI-8426c22c-2
0.255
AGN-NEW-c7b24fe3-2
0.253
MAR-TRE-a3327163-61
0.253
AGN-NEW-cce853d0-2
0.248
MAR-TRE-1c920f6f-26
0.248
MAR-TRE-a3327163-42
0.247
MAR-TRE-0fda4e82-29
0.245
MAR-TRE-6c5ef77a-26
0.245
BEN-VAN-77cef4f8-1
0.244
MAR-TRE-74c6519b-35
0.243
MAR-TRE-6c5ef77a-46
0.243
MAR-TRE-14ce9fd6-43
0.243
AGN-NEW-c7b24fe3-6
0.242
AGN-NEW-c7b24fe3-1
0.242
AGN-NEW-c7b24fe3-3
0.242
MAR-TRE-a3327163-46
0.240
MAR-TRE-1c920f6f-47
0.240
JAG-UCB-a3ef7265-9
0.240
BEN-VAN-77cef4f8-4
0.236
MAR-TRE-f5c2d31c-94
0.236
MAR-TRE-3e4e6814-55
0.235
MAR-TRE-a3327163-53
0.235
MAR-TRE-0fda4e82-67
0.234
MAR-TRE-a3327163-34
0.234
MAR-TRE-1c920f6f-30
0.234
AGN-NEW-c7b24fe3-4
0.232
AGN-NEW-c7b24fe3-5
0.232
JAG-UCB-a3ef7265-4
0.232
JAG-UCB-a3ef7265-5
0.232
BEN-VAN-77cef4f8-3
0.232
BEN-VAN-77cef4f8-2
0.232
AAR-UNI-c25c2f1e-55
0.231
MAR-TRE-b77b7921-73
0.231
MAR-TRE-6c5ef77a-20
0.231
MAR-TRE-6c5ef77a-55
0.230
MAR-TRE-f6f5f473-27
0.230
SID-ELM-8b394441-2
0.229
MAR-TRE-74c6519b-15
0.229
UNK-UNK-2ede4078-60
0.229
MAR-TRE-1c920f6f-44
0.229
MAR-TRE-6c5ef77a-14
0.229
SAD-SAT-b55127ae-8
0.229
MAR-TRE-14ce9fd6-27
0.229
BAR-COM-0f94fc3d-27
0.229
MAR-TRE-67513f76-66
0.228
MED-UNK-e6e8ef8a-8
0.227
MAR-TRE-f5c2d31c-14
0.227
BEN-VAN-77cef4f8-6
0.227
MAR-TRE-67513f76-30
0.226
MAR-TRE-6c5ef77a-33
0.226
MAR-TRE-6c5ef77a-66
0.225
MAR-TRE-a3327163-15
0.225
JAG-UCB-a3ef7265-8
0.225
BEN-VAN-77cef4f8-5
0.225
MAR-TRE-3e4e6814-46
0.223
MAR-TRE-6c5ef77a-51
0.222
MAR-TRE-0fda4e82-56
0.222
MAR-TRE-3159af1a-46
0.222
SIM-DEM-2843056b-7
0.221
MAR-TRE-a3327163-92
0.220
MAR-TRE-4b834d9a-55
0.220
MAR-TRE-6c5ef77a-58
0.220
MAR-TRE-0fda4e82-72
0.220