Molecular Properties | |
SMILES: | O=C(c1ccsc1)N1CCN(Cc2cc(Cl)c(Cl)cc2F)CC1 |
MW: | 372.03 |
Fraction sp3: | 0.31 |
HBA: | 3 |
HBD: | 0 |
Rotatable Bonds: | 3 |
TPSA: | 23.55 |
cLogP: | 4.15 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
halogenated ring
JUL-TUD-06b2044f-30
0.620
JUL-TUD-06b2044f-126
0.616
MAK-UNK-6ca90168-20
0.448
MAK-UNK-6ca90168-19
0.438
SAD-SAT-2fd372d1-4
0.426
JUL-TUD-06b2044f-136
0.386
JUL-TUD-06b2044f-119
0.356
MAK-UNK-212f693e-6
0.352
SAD-SAT-bc31ec01-1
0.351
LIZ-THE-f118233e-1
0.337
JUL-TUD-06b2044f-128
0.333
JUL-TUD-06b2044f-57
0.330
LON-WEI-8f408cad-7
0.320
MAK-UNK-212f693e-8
0.320
AAR-POS-0daf6b7e-13
0.320
JUL-TUD-06b2044f-72
0.320
MAK-UNK-6435e6c2-3
0.319
KIM-UNI-7d12df64-3
0.312
MAK-UNK-212f693e-7
0.307
ALP-POS-3fc1724e-3
0.305
MAK-UNK-10dfa458-1
0.303
KIM-UNI-7d12df64-1
0.301
SAD-SAT-f0a2747f-8
0.300
BEN-VAN-d8fd1356-24
0.299
MAK-UNK-10dfa458-20
0.299
AHN-SAT-de2502ba-15
0.296
MAK-UNK-7c9d1431-20
0.291
NEH-REV-107bcf72-5
0.287
HYO-UNK-50298ba0-1
0.287
DRR-IMP-38dce17f-1
0.286
JUL-TUD-06b2044f-73
0.286
BEN-VAN-d8fd1356-23
0.286
ALP-POS-3fc1724e-4
0.283
BEN-VAN-d8fd1356-20
0.281
DRR-IMP-db50bf6e-3
0.280
JUL-TUD-06b2044f-74
0.279
DRR-IMP-db50bf6e-1
0.276
NEH-REV-107bcf72-3
0.276
JON-UIO-066ce08b-16
0.276
JON-UIO-066ce08b-11
0.274
JON-UIO-066ce08b-9
0.274
DAR-DIA-fb20be43-2
0.273
JAN-GHE-fd8d85a5-10
0.271
MED-COV-4280ac29-37
0.270
MAK-UNK-e4a48a85-21
0.269
JUL-TUD-06b2044f-152
0.267
BEN-VAN-d8fd1356-22
0.267
DAR-DIA-fb20be43-12
0.266
JUL-TUD-06b2044f-92
0.265
MAK-UNK-7c9d1431-29
0.263
MAT-POS-ee51dedd-2
0.263
BEN-VAN-d8fd1356-21
0.261
BEN-VAN-c986b20b-13
0.260
KRI-MAR-d2e3ef86-6
0.260
AHN-SAT-de2502ba-8
0.260
AAR-POS-d2a4d1df-25
0.260
SAD-SAT-1f400d17-6
0.260
SAD-SAT-581007d4-1
0.259
SAD-SAT-65574d3f-10
0.259
DAV-CRI-d1e0885a-1
0.259
SAD-SAT-5b1897b2-5
0.259
MAK-UNK-e4a48a85-20
0.258
MAK-UNK-e4a48a85-22
0.258
MAK-UNK-e05327b2-7
0.258
SAD-SAT-1b030f84-5
0.256
KIM-UNI-2ee5d8f9-1
0.256
ANT-OPE-d972fbad-1
0.256
DRR-IMP-38dce17f-2
0.256
JOH-UNI-23d9e1b1-1
0.256
TAT-ENA-80bfd3e5-20
0.256
AAR-POS-d2a4d1df-41
0.256
DAR-DIA-fb20be43-8
0.256
PAU-UNI-19862c28-1
0.256
KRI-MAR-d2e3ef86-5
0.255
BEN-DND-7e92b6ca-10
0.255
JUL-TUD-06b2044f-124
0.255
STU-CHA-5350f95a-1
0.255
MAK-UNK-e4a48a85-16
0.254
MAT-POS-4e253971-2
0.253
MAK-UNK-e05327b2-5
0.252
STU-CHA-128b80be-1
0.250
MIH-UNI-e573136b-5
0.250
NAU-LAT-64f4b287-3
0.250
LON-WEI-8f408cad-5
0.250
AAR-POS-0daf6b7e-2
0.250
MAK-UNK-987948f6-2
0.250
ERI-UCB-a0b0dbcb-12
0.250
MAK-UNK-6ca90168-15
0.250
BEN-VAN-c986b20b-16
0.250
MAK-UNK-6435e6c2-11
0.250
MAK-UNK-4c6b313a-1
0.250
MAK-UNK-6435e6c2-10
0.250
JON-UIO-066ce08b-10
0.250
DAR-DIA-fb20be43-1
0.250
AAR-POS-0daf6b7e-17
0.250
TAM-UNI-d1c3dd9f-17
0.250
SEA-TRI-98d2cd42-1
0.248
SEA-TRI-9e600f3c-1
0.247
JUL-TUD-06b2044f-148
0.247
MAK-UNK-902cc841-1
0.247