Molecular Properties | |
SMILES: | Fc1cc2c(=S)n(-c3cccnc3)c(=S)n(-c3ccccc3)c2cc1Cl |
MW: | 399.903 |
Fraction sp3: | 0.0 |
HBA: | 5 |
HBD: | 0 |
Rotatable Bonds: | 2 |
TPSA: | 22.75 |
cLogP: | 6.06768 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
Thiocarbonyl group
LON-WEI-8f408cad-5
MAK-UNK-9e4a73aa-8
0.710
MAK-UNK-9e4a73aa-7
0.710
MAK-UNK-9e4a73aa-23
0.568
MAK-UNK-9e4a73aa-24
0.568
MAK-UNK-9e4a73aa-27
0.568
MAK-UNK-9e4a73aa-25
0.568
RAI-NOV-c18e0037-2
0.568
MAK-UNK-9e4a73aa-22
0.568
MAK-UNK-9e4a73aa-26
0.568
MAK-UNK-9e4a73aa-12
0.481
MAK-UNK-9e4a73aa-18
0.480
MAK-UNK-9e4a73aa-19
0.468
MAK-UNK-9e4a73aa-17
0.452
MAK-UNK-9e4a73aa-34
0.451
MAK-UNK-9e4a73aa-11
0.430
RAI-NOV-c18e0037-3
0.429
MAK-UNK-9e4a73aa-32
0.425
MAK-UNK-9e4a73aa-10
0.425
MAK-UNK-9e4a73aa-14
0.422
MAK-UNK-9e4a73aa-28
0.422
MAK-UNK-9e4a73aa-15
0.420
MAK-UNK-9e4a73aa-31
0.419
MAK-UNK-9e4a73aa-33
0.414
MAK-UNK-9e4a73aa-16
0.410
MAK-UNK-9e4a73aa-35
0.407
MAK-UNK-9e4a73aa-1
0.405
MAK-UNK-9e4a73aa-13
0.405
MAK-UNK-9e4a73aa-21
0.405
MAK-UNK-9e4a73aa-20
0.400
MAK-UNK-9e4a73aa-29
0.400
MAK-UNK-9e4a73aa-30
0.395
RAI-NOV-c18e0037-5
0.391
MAK-UNK-9e4a73aa-36
0.386
RAI-NOV-c18e0037-1
0.386
RAI-NOV-c18e0037-4
0.380
RAI-NOV-c18e0037-6
0.364
MAK-UNK-9e4a73aa-3
0.330
RAI-NOV-c18e0037-7
0.329
NIM-UNI-0ea3b7bf-4
0.308
MAK-UNK-9e4a73aa-2
0.301
DAR-DIA-fc970077-3
0.280
PET-UNK-4dc48bbe-5
0.279
MAK-UNK-9e4a73aa-5
0.275
DAR-DIA-fc970077-1
0.273
PET-UNK-94460c07-5
0.270
PET-UNK-94460c07-6
0.269
MAR-TRE-74c6519b-18
0.268
DAR-DIA-fc970077-6
0.263
DAR-DIA-fc970077-10
0.263
STE-UNK-28609fce-1
0.257
NIM-UNI-7f77122c-1
0.255
WIL-UNI-1faa9b10-8
0.255
DAR-DIA-fc970077-5
0.253
PET-UNK-4dc48bbe-3
0.250
MAR-TRE-b77b7921-43
0.243
MAK-UNK-9e4a73aa-4
0.242
PET-UNK-4dc48bbe-9
0.241
DAR-DIA-fc970077-11
0.241
DAR-DIA-fc970077-12
0.241
DAR-DIA-fc970077-4
0.241
AUS-ARG-7cfdce8f-10
0.240
TAT-ENA-80bfd3e5-49
0.240
MAK-UNK-9e4a73aa-6
0.239
MAR-TRE-74c6519b-26
0.238
SIM-SYN-a98e6a07-5
0.237
DAR-DIA-5d6f1b43-33
0.236
KEN-MCD-4729dc98-1
0.234
DAR-DIA-fc970077-2
0.233
NIM-UNI-0ea3b7bf-1
0.232
PET-UNK-4dc48bbe-7
0.231
NIM-UNI-36e12f95-3
0.228
DAR-DIA-fc970077-7
0.225
DAR-DIA-fc970077-8
0.225
MAR-TRE-2fd8122f-47
0.224
ZAC-MCD-b48cf8fd-1
0.224
PET-UNK-4dc48bbe-1
0.223
NIM-UNI-36e12f95-2
0.223
ERI-UCB-ce40166b-24
0.223
MAR-TRE-b77b7921-27
0.222
MAR-TRE-04c86cea-21
0.221
MAR-TRE-04c86cea-69
0.221
MAR-TRE-4b834d9a-36
0.220
PET-UNK-4dc48bbe-2
0.220
MAR-TRE-04c86cea-45
0.219
JAR-KUA-8c13982c-5
0.219
CHR-SOS-7098f804-16
0.219
SIM-SYN-a98e6a07-6
0.218
EDJ-MED-d203f206-17
0.216
VLA-UNK-3a43cd95-1
0.216
NIM-UNI-0ea3b7bf-3
0.214
JUL-TUD-06b2044f-126
0.214
JAN-GHE-83b26c96-18
0.213
RAL-THA-9041a04d-4
0.213
MAT-POS-a54ce14d-1
0.213
MAR-TRE-04c86cea-60
0.213
NIM-UNI-36e12f95-5
0.213
CHR-SOS-7098f804-13
0.213
JUL-TUD-06b2044f-90
0.212
PET-UNK-7a31b064-6
0.212
MAR-TRE-04c86cea-13
0.212