Molecular Properties | |
SMILES: | CS(=O)(=O)Nc1cccc(C(=O)CC(=O)N(c2ccc(F)cc2)C2C=CS(=O)(=O)C2)c1 |
MW: | 466.512 |
Fraction sp3: | 0.2 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 7 |
TPSA: | 117.69 |
cLogP: | 2.1139 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
beta-keto/anhydride
Activated double bonds (3)
Filter88_ene_sulfone
Ketone
Hetero_hetero
oxy-amide
AAR-POS-d2a4d1df-1
AAR-POS-0daf6b7e-8
0.487
AAR-POS-0daf6b7e-7
0.372
MAK-UNK-6435e6c2-7
0.370
AAR-POS-0daf6b7e-31
0.370
WIL-UNI-1faa9b10-7
0.367
MAK-UNK-7c9d1431-15
0.356
THO-SYG-98fc3427-2
0.348
AAR-POS-0daf6b7e-1
0.345
MAK-UNK-752736de-1
0.344
THO-SYG-98fc3427-1
0.337
MAK-UNK-902cc841-5
0.336
MAK-UNK-902cc841-6
0.333
JAN-GHE-4287bd1a-7
0.310
SAL-INS-1c7a5a55-8
0.305
THO-SYG-98fc3427-8
0.299
SAL-INS-1c7a5a55-10
0.294
MAR-TRE-799db12b-73
0.293
HAN-NEW-5f56c3bc-5
0.292
JAN-GHE-4287bd1a-8
0.291
MAK-UNK-c74072e5-5
0.288
SAL-INS-1c7a5a55-7
0.286
MAK-UNK-c74072e5-3
0.286
SAD-SAT-9a6c5cf3-8
0.282
THO-SYG-98fc3427-9
0.282
MAR-TRE-66ac689e-73
0.280
WIL-UNI-1faa9b10-2
0.276
MAK-UNK-9159f8ed-7
0.275
SAL-INS-1c7a5a55-9
0.275
THO-SYG-98fc3427-5
0.275
MAK-UNK-902cc841-13
0.274
THO-SYG-98fc3427-10
0.273
SEL-UNI-8426c22c-1
0.271
MAK-UNK-902cc841-11
0.270
THO-SYG-98fc3427-4
0.269
MAK-UNK-9159f8ed-6
0.269
MAK-UNK-1e8f9e3c-1
0.269
THO-SYG-98fc3427-6
0.268
THO-SYG-98fc3427-11
0.268
MAK-UNK-9159f8ed-4
0.267
MAK-UNK-9159f8ed-5
0.265
THO-SYG-98fc3427-7
0.260
NAU-LAT-f723e322-3
0.252
MAK-UNK-752736de-6
0.250
MAK-UNK-902cc841-14
0.246
SEL-UNI-49ab05bd-2
0.245
YUN-WES-58b0dbae-4
0.243
MAT-POS-fa06b69f-7
0.239
TAT-ENA-80bfd3e5-45
0.239
MAK-UNK-9159f8ed-3
0.236
SAD-SAT-f0a2747f-3
0.235
DAV-SYG-f22c749d-7
0.234
WIL-UNI-1faa9b10-36
0.234
SEL-UNI-49ab05bd-3
0.234
KEI-TRE-d5e2018a-55
0.234
MAK-UNK-752736de-2
0.233
MAK-UNK-902cc841-12
0.230
KEI-TRE-d5e2018a-1
0.230
KEI-TRE-d5e2018a-42
0.229
DAV-SYG-f22c749d-8
0.228
MAK-UNK-942dcb71-2
0.228
MAK-UNK-9159f8ed-1
0.227
IND-SYN-a2b2ab0e-4
0.227
IND-SYN-5e5c1c3e-4
0.227
FAB-NA_-a0010840-1
0.227
MAR-TRE-fd17a9b8-56
0.226
MAK-UNK-752736de-3
0.223
MIH-UNI-e573136b-15
0.223
MAR-TRE-9d18ae8c-36
0.220
MAK-UNK-e0fdfe28-1
0.218
IND-SYN-a2b2ab0e-3
0.216
IND-SYN-5e5c1c3e-3
0.216
MAR-TRE-d0525fbf-92
0.216
KEI-TRE-d5e2018a-95
0.216
WIL-UNI-1faa9b10-16
0.215
JON-UIO-d041ac75-5
0.214
JON-UNI-bb9dc649-14
0.214
MAK-UNK-752736de-10
0.213
DAN-MCD-0742953f-1
0.213
ALP-POS-780445ae-10
0.212
MAK-UNK-9159f8ed-2
0.212
JAN-GHE-1d98ec1c-6
0.210
TAM-UNI-d1c3dd9f-22
0.210
ALP-POS-e980f4ea-9
0.209
JOR-WAB-2fd4136b-1
0.209
LON-WEI-120e5cf5-19
0.208
JAN-GHE-4287bd1a-6
0.207
BRU-THA-92256091-15
0.206
AAR-UNI-c25c2f1e-79
0.206
MAK-UNK-942dcb71-1
0.206
ALP-POS-e980f4ea-25
0.206
JAR-KUA-41bd5a3d-7
0.205
SWA-SYN-40d44a84-2
0.205
NJA-MAN-00c90aa2-47
0.205
ALP-POS-e980f4ea-11
0.205
ALP-POS-e980f4ea-49
0.205
ALP-POS-e980f4ea-5
0.205
AAR-UNI-c25c2f1e-30
0.204
WIL-UNI-5578df48-7
0.204
MAR-TRE-8190bb11-87
0.204
WAR-XCH-bdd24732-37
0.204