Molecular Properties | |
SMILES: | CCn1c(SCC(=O)Nc2cccnc2Cl)nc2cc(C)[nH]c2c1=O |
MW: | 377.07 |
Fraction sp3: | 0.25 |
HBA: | 6 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 92.67 |
cLogP: | 2.83 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-7750847832 |
MolPort: | MolPort-019-714-255 |
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-67513f76-71
0.798
MAR-TRE-7f7bb9f0-23
0.718
MAR-TRE-9c797165-49
0.693
MAR-TRE-9c797165-76
0.681
MAR-TRE-7f7bb9f0-42
0.582
MAR-TRE-4b834d9a-29
0.462
MAR-TRE-9c797165-27
0.416
MAR-TRE-d0525fbf-93
0.408
AAR-POS-0daf6b7e-20
0.392
MAR-TRE-74c6519b-44
0.368
MAR-TRE-7f7bb9f0-55
0.366
MAR-TRE-3e4e6814-41
0.356
MAR-TRE-67513f76-54
0.353
MAR-TRE-3e4e6814-95
0.349
MAR-TRE-d0525fbf-83
0.346
MAK-UNK-a7b37c5e-3
0.341
AGN-NEW-cce853d0-3
0.333
MAR-TRE-f6f5f473-30
0.330
MAR-TRE-3e4e6814-63
0.324
SID-ELM-8b394441-4
0.323
AGN-NEW-cce853d0-1
0.320
MAR-TRE-7f7bb9f0-61
0.317
MAR-TRE-9c797165-96
0.309
MAR-TRE-0fda4e82-89
0.298
MAR-TRE-9c797165-42
0.296
MAR-TRE-4b834d9a-1
0.293
EDG-MED-0da5ad92-14
0.292
SID-ELM-8b394441-3
0.286
MAR-TRE-6c5ef77a-55
0.286
MAR-TRE-6c5ef77a-96
0.280
MAR-TRE-f5c2d31c-67
0.280
MAR-TRE-0fda4e82-90
0.271
MAR-TRE-74c6519b-25
0.270
AGN-NEW-c7b24fe3-5
0.270
MAR-TRE-0fda4e82-67
0.268
AGN-NEW-c7b24fe3-6
0.267
MAR-TRE-a3327163-92
0.266
MAR-TRE-4b834d9a-95
0.266
MAR-TRE-0fda4e82-60
0.264
MAR-TRE-f5c2d31c-49
0.262
MAR-TRE-1c920f6f-26
0.259
MAR-TRE-3e4e6814-3
0.259
AGN-NEW-c7b24fe3-4
0.257
MAR-TRE-74c6519b-80
0.256
AGN-NEW-c7b24fe3-3
0.255
AGN-NEW-c7b24fe3-1
0.255
MAR-TRE-7f7bb9f0-39
0.255
MAR-TRE-3e4e6814-90
0.254
MAR-TRE-1c920f6f-3
0.252
AGN-NEW-c7b24fe3-2
0.252
MAR-TRE-4b834d9a-22
0.252
MAR-TRE-7f7bb9f0-95
0.250
MAR-TRE-9c797165-36
0.250
MAR-TRE-0fda4e82-70
0.250
MAR-TRE-d0525fbf-27
0.250
MAR-TRE-74c6519b-15
0.250
MAR-TRE-4b834d9a-33
0.250
BAR-COM-0f94fc3d-31
0.248
MAR-TRE-3e4e6814-55
0.248
MAR-TRE-a3327163-42
0.248
BEN-VAN-77cef4f8-4
0.246
MAR-TRE-d0525fbf-42
0.246
MAR-TRE-4b834d9a-25
0.246
MAR-TRE-1c920f6f-74
0.245
BEN-VAN-77cef4f8-1
0.244
MAR-TRE-3e4e6814-32
0.244
MAR-TRE-0fda4e82-72
0.243
MAR-TRE-14ce9fd6-43
0.243
MAR-TRE-6c5ef77a-46
0.243
MAR-TRE-6c5ef77a-20
0.243
SEL-UNI-8426c22c-2
0.243
EDG-MED-0da5ad92-21
0.242
MAR-TRE-74c6519b-78
0.241
MAR-TRE-14ce9fd6-27
0.241
BAR-COM-0f94fc3d-27
0.241
MAR-TRE-a3327163-61
0.240
MAR-TRE-f5c2d31c-14
0.240
MAR-TRE-74c6519b-33
0.240
MAR-TRE-4b834d9a-83
0.240
MAR-TRE-f6f5f473-93
0.240
MAR-TRE-f5c2d31c-75
0.238
MAR-TRE-74c6519b-99
0.238
MAR-TRE-74c6519b-23
0.238
MAR-TRE-4b834d9a-10
0.238
BEN-VAN-77cef4f8-6
0.237
AGN-NEW-cce853d0-2
0.236
MAR-TRE-f5c2d31c-94
0.236
MAR-TRE-7f7bb9f0-85
0.236
COM-UCB-1ef4e90e-1
0.236
MAR-TRE-3e4e6814-51
0.236
MAR-TRE-f6f5f473-40
0.235
MAR-TRE-14ce9fd6-37
0.234
MAR-TRE-1c920f6f-30
0.234
MAR-TRE-1c920f6f-49
0.234
MAR-TRE-74c6519b-73
0.234
MAR-TRE-f6f5f473-18
0.234
MAT-POS-ea426761-101
0.234
MAR-TRE-3159af1a-46
0.233
MAR-TRE-b77b7921-90
0.233
MAR-TRE-4b834d9a-12
0.233