Molecular Properties | |
SMILES: | O=c1c2cc(F)c(Cl)cc2n(-c2ccccc2)c(=S)n1-c1cccnc1 |
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-24
0.686
MAK-UNK-9e4a73aa-26
0.686
MAK-UNK-9e4a73aa-27
0.686
MAK-UNK-9e4a73aa-25
0.686
MAK-UNK-9e4a73aa-23
0.686
MAK-UNK-9e4a73aa-22
0.686
RAI-NOV-c18e0037-2
0.686
MAK-UNK-9e4a73aa-8
0.622
MAK-UNK-9e4a73aa-18
0.592
MAK-UNK-9e4a73aa-19
0.573
MAK-UNK-9e4a73aa-17
0.570
MAK-UNK-9e4a73aa-12
0.566
MAK-UNK-9e4a73aa-34
0.551
RAI-NOV-c18e0037-3
0.525
MAK-UNK-9e4a73aa-15
0.519
MAK-UNK-9e4a73aa-14
0.519
MAK-UNK-9e4a73aa-28
0.519
MAK-UNK-9e4a73aa-32
0.518
MAK-UNK-9e4a73aa-1
0.514
MAK-UNK-9e4a73aa-11
0.513
MAK-UNK-9e4a73aa-31
0.512
MAK-UNK-9e4a73aa-10
0.506
MAK-UNK-9e4a73aa-16
0.506
MAK-UNK-9e4a73aa-33
0.506
MAK-UNK-9e4a73aa-13
0.500
MAK-UNK-9e4a73aa-29
0.494
MAK-UNK-9e4a73aa-30
0.488
MAK-UNK-9e4a73aa-35
0.464
MAK-UNK-9e4a73aa-21
0.463
MAK-UNK-9e4a73aa-36
0.459
RAI-NOV-c18e0037-1
0.444
RAI-NOV-c18e0037-4
0.442
MAK-UNK-9e4a73aa-20
0.440
RAI-NOV-c18e0037-5
0.430
RAI-NOV-c18e0037-7
0.390
RAI-NOV-c18e0037-6
0.386
MAK-UNK-9e4a73aa-3
0.352
MAK-UNK-9e4a73aa-2
0.337
NIM-UNI-0ea3b7bf-4
0.330
PET-UNK-94460c07-5
0.307
DAR-DIA-fc970077-3
0.307
PET-UNK-94460c07-6
0.304
PET-UNK-4dc48bbe-5
0.302
DAR-DIA-fc970077-1
0.299
MAR-TRE-74c6519b-18
0.293
DAR-DIA-fc970077-6
0.287
DAR-DIA-fc970077-10
0.287
PET-UNK-4dc48bbe-3
0.286
MAK-UNK-9e4a73aa-5
0.283
PET-UNK-4dc48bbe-9
0.279
MAK-UNK-9e4a73aa-4
0.278
DAR-DIA-fc970077-5
0.277
NIM-UNI-7f77122c-1
0.277
MAK-UNK-9e4a73aa-6
0.275
MAR-TRE-b77b7921-43
0.274
PET-UNK-4dc48bbe-7
0.267
DAR-DIA-5d6f1b43-33
0.266
STE-UNK-28609fce-1
0.265
DAR-DIA-fc970077-11
0.264
DAR-DIA-fc970077-12
0.264
MAR-TRE-74c6519b-26
0.262
DAR-DIA-fc970077-7
0.261
TAT-ENA-80bfd3e5-49
0.260
SIM-SYN-a98e6a07-5
0.258
MAT-POS-a54ce14d-1
0.255
RAL-THA-9041a04d-4
0.255
NIM-UNI-0ea3b7bf-1
0.253
KEN-MCD-4729dc98-1
0.252
WIL-UNI-1faa9b10-8
0.250
DAR-DIA-fc970077-4
0.250
NIM-UNI-36e12f95-3
0.250
JAN-GHE-83b26c96-18
0.250
DAR-DIA-fc970077-8
0.247
PET-UNK-7a31b064-6
0.245
PET-UNK-4dc48bbe-1
0.245
ERI-UCB-ce40166b-24
0.243
MAR-TRE-85681e92-8
0.242
PET-UNK-4dc48bbe-2
0.242
DAR-DIA-fc970077-2
0.241
ZAC-MCD-b48cf8fd-1
0.241
MAR-TRE-b77b7921-27
0.241
MAR-TRE-04c86cea-69
0.240
MAR-TRE-04c86cea-21
0.240
MAR-TRE-4b834d9a-36
0.239
MAR-TRE-04c86cea-45
0.238
SIM-SYN-a98e6a07-6
0.238
MAR-TRE-04c86cea-13
0.235
AUS-ARG-7cfdce8f-10
0.235
NIM-UNI-0ea3b7bf-3
0.235
NIM-UNI-36e12f95-5
0.234
NIM-UNI-0ea3b7bf-5
0.233
VLA-UNK-792b5d03-4
0.232
MAR-TRE-04c86cea-60
0.231
NIM-UNI-36e12f95-2
0.231
MAR-TRE-f6f5f473-94
0.230
MAR-TRE-04c86cea-52
0.229
CHR-SOS-7098f804-16
0.227
CHR-SOS-7098f804-14
0.226
PET-UNK-7a31b064-5
0.224