Molecular Properties | |
SMILES: | C[C@H](C(O)=S)c1ccc2c(c1)[nH]c1ccc(Cl)cc12 |
MW: | 289.787 |
Fraction sp3: | 0.13 |
HBA: | 1 |
HBD: | 2 |
Rotatable Bonds: | 2 |
TPSA: | 36.02 |
cLogP: | 4.9634 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
Thiocarbonyl group
Heteroatom-bonded thiocarbonyls
Thiocarbonyls
Filter76_S_ester
Thiocarbonyl_group
AAR-POS-d2a4d1df-30
MAK-UNK-0d6072ac-4
0.754
AAR-POS-fca48359-20
0.754
MAK-UNK-0d6072ac-3
0.754
GER-UNI-ec786817-1
0.754
AAR-POS-fca48359-19
0.754
MAK-UNK-0d6072ac-14
0.724
MAK-UNK-0d6072ac-24
0.689
MAK-UNK-0d6072ac-25
0.689
MAK-UNK-0d6072ac-26
0.597
MAK-UNK-10dfa458-28
0.578
MAK-UNK-0d6072ac-23
0.493
MAK-UNK-0d6072ac-1
0.471
MAK-UNK-0d6072ac-13
0.471
MAK-UNK-0d6072ac-22
0.443
MAK-UNK-0d6072ac-11
0.437
MAK-UNK-0d6072ac-7
0.431
MAK-UNK-0d6072ac-16
0.423
ALP-POS-4f3627cc-1
0.392
MAK-UNK-0d6072ac-21
0.392
MAK-UNK-0d6072ac-10
0.392
MAK-UNK-0d6072ac-8
0.392
MAK-UNK-0d6072ac-20
0.384
MAK-UNK-0d6072ac-17
0.373
MAK-UNK-0d6072ac-12
0.368
MAK-UNK-0d6072ac-18
0.365
MAK-UNK-0d6072ac-32
0.364
MAK-UNK-0d6072ac-27
0.360
MAK-UNK-0d6072ac-33
0.355
MAK-UNK-0d6072ac-9
0.355
MAK-UNK-0d6072ac-31
0.342
AAR-POS-fca48359-18
0.338
MAK-UNK-0d6072ac-19
0.338
MAK-UNK-0d6072ac-34
0.338
MAK-UNK-0d6072ac-30
0.321
MAK-UNK-10dfa458-34
0.321
MAK-UNK-230cdef2-8
0.318
MAK-UNK-0d6072ac-28
0.312
MAK-UNK-0d6072ac-29
0.309
MAK-UNK-230cdef2-1
0.302
MAK-UNK-230cdef2-9
0.297
MAK-UNK-10dfa458-37
0.296
MAK-UNK-10dfa458-33
0.296
MAK-UNK-230cdef2-2
0.290
MAK-UNK-230cdef2-4
0.281
MAK-UNK-230cdef2-7
0.277
SAN-PRS-3c4a6997-1
0.269
MAR-UCB-195bc32d-11
0.266
MAK-UNK-230cdef2-5
0.260
MAK-UNK-230cdef2-6
0.260
DAR-DIA-eace69ff-37
0.250
MAK-UNK-0d6072ac-38
0.241
MAK-UNK-0d6072ac-36
0.238
MAR-TRE-fd17a9b8-32
0.235
MAT-POS-590ac91e-58
0.232
MAK-UNK-0d6072ac-35
0.226
MAK-UNK-0d6072ac-37
0.226
MAK-UNK-0d6072ac-2
0.225
MAT-POS-590ac91e-42
0.224
GAB-REV-70cc3ca5-16
0.220
MAT-POS-590ac91e-51
0.216
MAT-POS-590ac91e-66
0.214
LON-WEI-1908424e-9
0.213
MAT-POS-590ac91e-43
0.212
MAT-POS-590ac91e-55
0.212
MAT-POS-590ac91e-53
0.207
JOH-IMS-1436231f-5
0.206
MAT-POS-590ac91e-54
0.206
WIL-UNI-d4749f31-4
0.204
MAR-TRE-6c5ef77a-54
0.203
MAT-POS-590ac91e-70
0.200
MAR-TRE-fd17a9b8-1
0.200
LON-WEI-120e5cf5-9
0.194
MAR-TRE-92684b97-32
0.191
JON-UIO-066ce08b-7
0.190
JAN-GHE-83b26c96-2
0.189
JAN-GHE-83b26c96-3
0.188
CHR-UNK-e061132b-1
0.188
CHR-UNK-b46452fc-1
0.188
JOH-IMS-1436231f-1
0.188
SAM-UNK-2684b532-5
0.187
SAM-UNK-2684b532-6
0.187
EDJ-MED-8698005e-1
0.186
PAF-PIO-d312ccf6-1
0.186
MAK-UNK-5d2caa6f-14
0.184
EVA-UNK-a6bd3264-1
0.184
AAR-POS-0daf6b7e-10
0.184
RYA-UNI-6f4cba40-1
0.184
SAM-UNK-2684b532-7
0.184
JAG-UCB-c61058a9-46
0.183
MAK-UNK-230cdef2-3
0.183
JON-UNI-2a110085-7
0.183
JAG-UCB-cedd89ab-5
0.183
MAK-UNK-f203cb68-17
0.183
JAN-GHE-83b26c96-5
0.182
TRY-UNI-2eddb1ff-4
0.182
MAR-TRE-3724962b-1
0.182
LON-WEI-0a73fcb8-6
0.182
TRY-UNI-714a760b-18
0.182
JAN-GHE-83b26c96-4
0.182
TRY-UNI-2eddb1ff-5
0.182