Molecular Properties | |
SMILES: | Cc1ccc(N(C(=O)CCl)C2C=CS(=O)(=O)C2)cc1Cc1ccsc1 |
MW: | 395.04 |
Fraction sp3: | 0.28 |
HBA: | 4 |
HBD: | 0 |
Rotatable Bonds: | 5 |
TPSA: | 54.45 |
cLogP: | 3.53 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
Activated double bonds (3)
Filter88_ene_sulfone
THO-SYG-98fc3427-10
0.727
THO-SYG-98fc3427-9
0.718
THO-SYG-98fc3427-11
0.607
MAK-UNK-752736de-1
0.562
THO-SYG-98fc3427-4
0.532
MAK-UNK-7c9d1431-15
0.513
AAR-POS-0daf6b7e-7
0.480
THO-SYG-98fc3427-5
0.475
AAR-POS-0daf6b7e-8
0.474
THO-SYG-98fc3427-2
0.468
SAL-INS-1c7a5a55-7
0.455
THO-SYG-98fc3427-1
0.450
AAR-POS-0daf6b7e-1
0.447
SAL-INS-1c7a5a55-8
0.429
THO-SYG-98fc3427-7
0.423
THO-SYG-98fc3427-6
0.419
MAK-UNK-942dcb71-2
0.393
SAL-INS-1c7a5a55-9
0.389
SAL-INS-1c7a5a55-10
0.381
MAK-UNK-942dcb71-1
0.333
MAK-UNK-c74072e5-5
0.330
MAK-UNK-902cc841-6
0.330
JAN-GHE-4287bd1a-7
0.319
SEL-UNI-49ab05bd-2
0.319
MAK-UNK-c74072e5-3
0.315
HAN-NEW-5f56c3bc-5
0.311
FAB-NA_-a0010840-1
0.304
FAB-NA_-a0010840-3
0.303
JAR-IMP-ed466bb3-18
0.299
MAK-UNK-902cc841-5
0.295
SEL-UNI-49ab05bd-3
0.295
JAN-GHE-4287bd1a-8
0.286
SAD-SAT-9a6c5cf3-8
0.277
MAK-UNK-e4a48a85-22
0.272
SAD-SAT-f0a2747f-3
0.267
SEL-UNI-8426c22c-1
0.265
FAB-NA_-a0010840-2
0.262
MAK-UNK-e4a48a85-20
0.260
LON-WEI-8f408cad-7
0.256
MAK-UNK-212f693e-8
0.256
AAR-POS-0daf6b7e-13
0.256
MAK-UNK-212f693e-32
0.247
MAK-UNK-212f693e-17
0.247
MAK-UNK-e4a48a85-21
0.245
MAK-UNK-212f693e-7
0.244
MAK-UNK-212f693e-15
0.241
MAK-UNK-6435e6c2-3
0.238
SEL-UNI-49ab05bd-1
0.237
MAK-UNK-a7992eb3-15
0.237
MAK-UNK-acefcb18-8
0.237
MAK-UNK-3f402c2b-22
0.237
PET-UNK-55f647aa-3
0.235
MAK-UNK-212f693e-6
0.235
MAK-UNK-212f693e-16
0.235
MAK-UNK-acefcb18-31
0.234
PET-UNK-b75fdf9f-3
0.233
MAK-UNK-e4a48a85-24
0.231
DAV-SYG-f22c749d-8
0.231
MAK-UNK-a7992eb3-14
0.230
RUT-UNI-630c5802-22
0.230
RUT-UNI-630c5802-17
0.227
INS-INS-8dbfb37c-1
0.227
MIH-UNI-6b9ca91a-1
0.226
MAK-UNK-10dfa458-20
0.225
RUT-UNI-630c5802-4
0.224
MAK-UNK-752736de-4
0.223
RUT-UNI-630c5802-20
0.223
MAK-UNK-e4a48a85-8
0.223
MAK-UNK-212f693e-35
0.222
MAK-UNK-e05327b2-3
0.221
MAK-UNK-e4a48a85-25
0.221
DAN-PUR-3907f623-3
0.221
DAV-SYG-f22c749d-7
0.220
YUN-WES-58b0dbae-4
0.219
MAK-UNK-e4a48a85-16
0.217
JOH-UNI-a38a7bdd-7
0.216
JOH-UNI-a38a7bdd-8
0.216
MAR-TRE-6a44bbf2-50
0.215
RUT-UNI-630c5802-19
0.214
MAK-UNK-752736de-6
0.213
MAK-UNK-10dfa458-1
0.213
AAR-POS-d2a4d1df-7
0.212
THO-SYG-98fc3427-3
0.211
AHN-SAT-02ef6d10-9
0.211
NJA-MAN-00c90aa2-6
0.211
MAK-UNK-a7992eb3-1
0.210
JAR-KUA-41bd5a3d-15
0.210
MAK-UNK-212f693e-34
0.209
MAR-TRE-6a44bbf2-62
0.208
SAD-SAT-d8079f6f-10
0.207
PET-UNK-55f647aa-2
0.207
RUT-UNI-630c5802-26
0.207
ALP-POS-c0c213c9-6
0.207
DAR-DIA-842b4336-10
0.207
INS-INS-714f82db-1
0.206
RUT-UNI-630c5802-18
0.205
UNK-UNK-2ede4078-44
0.205
MAR-TRE-6a44bbf2-94
0.204
PET-UNK-1901c25b-1
0.204
JOH-UNI-a38a7bdd-9
0.202