Molecular Properties | |
SMILES: | O=c1sn(-c2cccc3ccccc23)c(=O)n1Cc1cccc(Cl)c1 |
MW: | 368.04 |
Fraction sp3: | 0.05 |
HBA: | 5 |
HBD: | 0 |
Rotatable Bonds: | 3 |
TPSA: | 44.0 |
cLogP: | 3.92 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
DAR-DIA-0f7b7cd9-1
0.712
HAO-BIO-c9aafde3-2
0.712
DAR-DIA-0f7b7cd9-4
0.667
DAR-DIA-0f7b7cd9-3
0.444
DAR-DIA-0f7b7cd9-5
0.389
DAR-DIA-b80f1cd7-1
0.380
DAR-DIA-b80f1cd7-13
0.380
DAR-DIA-b80f1cd7-2
0.379
DAR-DIA-b80f1cd7-14
0.363
DAR-DIA-b80f1cd7-11
0.350
DAR-DIA-b80f1cd7-12
0.346
DAR-DIA-0f7b7cd9-6
0.344
DAR-DIA-b80f1cd7-3
0.343
DAR-DIA-b80f1cd7-10
0.337
DAR-DIA-b80f1cd7-9
0.333
DAR-DIA-b80f1cd7-4
0.330
DAR-DIA-b80f1cd7-7
0.327
DAR-DIA-b80f1cd7-5
0.327
DAR-DIA-b80f1cd7-6
0.327
DAR-DIA-b80f1cd7-8
0.324
ALP-POS-91609ae9-2
0.315
AMI-CSI-2ea5bed6-7
0.313
ALP-POS-91609ae9-1
0.310
MAR-TRE-b77b7921-62
0.309
AAR-POS-0daf6b7e-29
0.307
JOH-IMS-1436231f-6
0.307
ERI-UCB-a0b0dbcb-12
0.306
SAD-SAT-7d5528d9-21
0.306
ASH-SAT-43770c7d-3
0.306
MAR-TRE-4b834d9a-80
0.305
ALP-POS-76eab5ce-2
0.300
MAR-TRE-b77b7921-33
0.299
JOH-UNI-6fede743-4
0.297
JAN-GHE-5a013bed-3
0.293
RUB-POS-1325a9ea-18
0.293
MIC-UNK-0a05c952-2
0.291
DAN-LON-a5fc619e-8
0.291
JOH-UNI-6fede743-2
0.290
SAD-SAT-7d5528d9-11
0.287
VLA-UCB-1dbca3b4-3
0.287
ALP-POS-76eab5ce-1
0.286
VLA-UNK-0ffe3317-4
0.286
DAN-LON-a5fc619e-1
0.284
DAN-LON-a5fc619e-2
0.284
JOH-UNI-0e1753c1-3
0.284
HYO-UNK-49a60884-1
0.284
AAR-POS-d2a4d1df-35
0.284
MED-COV-4280ac29-15
0.284
JOH-UNI-0e1753c1-2
0.284
MAR-TRE-b77b7921-79
0.283
AVI-UNI-c9bf710f-1
0.283
VLA-UNK-4cf5aa07-2
0.281
SAD-SAT-7d5528d9-35
0.280
NAU-LAT-4ce8bf23-2
0.280
VLA-UCB-1dbca3b4-6
0.278
PET-UNK-689df078-2
0.277
VLA-UNK-db5e3064-1
0.277
MAK-UNK-6ca90168-13
0.277
JOH-UNI-23d9e1b1-1
0.277
DAN-LON-a5fc619e-5
0.277
JOH-UNI-ee5ed7c8-11
0.276
JOH-UNI-3fc3434e-11
0.276
DAR-DIA-5d6f1b43-3
0.276
PET-UNK-94460c07-1
0.276
DAN-LON-a5fc619e-4
0.275
ADA-UCB-6c2cb422-1
0.275
JOH-UNI-ee5ed7c8-8
0.274
JOH-UNI-3fc3434e-8
0.274
DAR-DIA-0f7b7cd9-7
0.274
JOH-IMS-1436231f-2
0.273
DAR-DIA-6a49afbe-5
0.273
MED-COV-4280ac29-13
0.273
SAD-SAT-7d5528d9-6
0.273
PET-UNK-94460c07-2
0.272
PET-UNK-7b413b46-3
0.272
PET-UNK-7b413b46-7
0.272
MAK-UNK-ec98eaf6-44
0.272
DAR-DIA-6a49afbe-1
0.272
DAR-DIA-5d6f1b43-13
0.270
DAR-DIA-5d6f1b43-4
0.270
DAR-DIA-5d6f1b43-11
0.270
PET-UNK-158bee2a-1
0.270
VLA-UNK-4cf5aa07-1
0.270
MIC-UNK-0a05c952-1
0.269
MAT-POS-3cc264b0-1
0.269
SAD-SAT-c989feaa-3
0.269
EDJ-MED-50fe53e8-1
0.269
DAN-LON-a5fc619e-10
0.269
DAR-DIA-5d6f1b43-5
0.268
JAN-GHE-5a013bed-4
0.267
VLA-UCB-1dbca3b4-18
0.267
PET-UNK-abc197b8-1
0.267
MAR-TRE-b77b7921-24
0.266
SAD-SAT-c989feaa-5
0.266
PET-UNK-7be94445-2
0.266
ALP-POS-f13221e1-3
0.266
PET-UNK-4dc48bbe-4
0.265
PET-UNK-4dc48bbe-6
0.265
VLA-UNK-db5e3064-2
0.265
SEA-TRI-9e600f3c-1
0.265