Molecular Properties | |
SMILES: | O=c1n(-c2cccnc2)c(=S)c2cc(F)c(Cl)cc2n1-c1ccccc1 |
MW: | 383.835 |
Fraction sp3: | 0.0 |
HBA: | 5 |
HBD: | 0 |
Rotatable Bonds: | 2 |
TPSA: | 39.82 |
cLogP: | 4.69839 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
Thiocarbonyl group
LON-WEI-8f408cad-5
MAK-UNK-9e4a73aa-9
0.710
MAK-UNK-9e4a73aa-23
0.686
MAK-UNK-9e4a73aa-24
0.686
MAK-UNK-9e4a73aa-27
0.686
MAK-UNK-9e4a73aa-25
0.686
RAI-NOV-c18e0037-2
0.686
MAK-UNK-9e4a73aa-22
0.686
MAK-UNK-9e4a73aa-26
0.686
MAK-UNK-9e4a73aa-7
0.622
MAK-UNK-9e4a73aa-12
0.587
MAK-UNK-9e4a73aa-18
0.569
MAK-UNK-9e4a73aa-19
0.553
MAK-UNK-9e4a73aa-11
0.533
MAK-UNK-9e4a73aa-34
0.532
MAK-UNK-9e4a73aa-10
0.526
MAK-UNK-9e4a73aa-15
0.519
MAK-UNK-9e4a73aa-13
0.519
MAK-UNK-9e4a73aa-14
0.519
MAK-UNK-9e4a73aa-28
0.519
MAK-UNK-9e4a73aa-1
0.514
MAK-UNK-9e4a73aa-17
0.512
MAK-UNK-9e4a73aa-16
0.506
RAI-NOV-c18e0037-3
0.506
MAK-UNK-9e4a73aa-35
0.500
MAK-UNK-9e4a73aa-31
0.494
MAK-UNK-9e4a73aa-20
0.494
MAK-UNK-9e4a73aa-29
0.494
MAK-UNK-9e4a73aa-33
0.488
MAK-UNK-9e4a73aa-32
0.482
RAI-NOV-c18e0037-4
0.480
MAK-UNK-9e4a73aa-30
0.470
MAK-UNK-9e4a73aa-21
0.463
RAI-NOV-c18e0037-1
0.463
MAK-UNK-9e4a73aa-36
0.442
RAI-NOV-c18e0037-5
0.414
NIM-UNI-0ea3b7bf-4
0.391
RAI-NOV-c18e0037-7
0.390
RAI-NOV-c18e0037-6
0.371
MAK-UNK-9e4a73aa-3
0.352
MAK-UNK-9e4a73aa-2
0.337
DAR-DIA-fc970077-3
0.324
PET-UNK-4dc48bbe-5
0.318
PET-UNK-94460c07-5
0.307
DAR-DIA-fc970077-1
0.299
MAK-UNK-9e4a73aa-5
0.297
MAR-TRE-74c6519b-18
0.293
PET-UNK-94460c07-6
0.290
STE-UNK-28609fce-1
0.290
DAR-DIA-fc970077-10
0.287
DAR-DIA-fc970077-6
0.287
MAK-UNK-9e4a73aa-4
0.278
DAR-DIA-fc970077-5
0.277
NIM-UNI-7f77122c-1
0.277
TAT-ENA-80bfd3e5-49
0.274
MAR-TRE-b77b7921-43
0.274
PET-UNK-4dc48bbe-3
0.272
DAR-DIA-fc970077-11
0.264
DAR-DIA-fc970077-4
0.264
MAR-TRE-74c6519b-26
0.262
MAK-UNK-9e4a73aa-6
0.261
DAR-DIA-fc970077-2
0.256
DAR-DIA-5d6f1b43-33
0.255
MAR-TRE-04c86cea-21
0.252
MAR-TRE-04c86cea-69
0.252
KEN-MCD-4729dc98-1
0.252
MAR-TRE-b77b7921-27
0.252
MAR-TRE-4b834d9a-36
0.250
MAR-TRE-04c86cea-45
0.250
PET-UNK-4dc48bbe-9
0.250
DAR-DIA-fc970077-12
0.250
WIL-UNI-1faa9b10-8
0.250
DAR-DIA-5d6f1b43-14
0.248
DAR-DIA-fc970077-7
0.247
DAR-DIA-fc970077-8
0.247
MAR-TRE-2fd8122f-47
0.245
MAR-TRE-04c86cea-60
0.243
NIM-UNI-36e12f95-2
0.243
ERI-UCB-ce40166b-24
0.243
PET-UNK-4dc48bbe-2
0.242
ZAC-MCD-b48cf8fd-1
0.241
MAR-TRE-04c86cea-52
0.240
NIM-UNI-0ea3b7bf-1
0.240
PET-UNK-4dc48bbe-7
0.239
NIM-UNI-36e12f95-3
0.237
JAN-GHE-83b26c96-18
0.236
AUS-ARG-7cfdce8f-10
0.235
MAR-TRE-04c86cea-13
0.235
NIM-UNI-0ea3b7bf-3
0.235
NIM-UNI-36e12f95-5
0.234
DAR-DIA-5d6f1b43-15
0.234
NIM-UNI-0ea3b7bf-5
0.233
SIM-SYN-a98e6a07-5
0.232
VLA-UNK-792b5d03-4
0.232
PET-UNK-4dc48bbe-1
0.232
DAR-DIA-5d6f1b43-16
0.231
MAR-TRE-f6f5f473-94
0.230
MAR-TRE-04c86cea-50
0.229
MAR-TRE-f6f5f473-20
0.229
DAR-DIA-5d6f1b43-22
0.227
VLA-UNK-3a43cd95-2
0.227