Molecular Properties | |
SMILES: | O=C(CCl)N(c1ccc(F)cc1Cc1c[nH]cn1)C1C=CS(=O)(=O)C1 |
MW: | 383.832 |
Fraction sp3: | 0.25 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 83.13 |
cLogP: | 2.0221 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
Activated double bonds (3)
Filter88_ene_sulfone
SAL-INS-1c7a5a55-9
0.763
SAL-INS-1c7a5a55-8
0.630
SAL-INS-1c7a5a55-7
0.477
AAR-POS-0daf6b7e-8
0.443
MAK-UNK-752736de-1
0.415
THO-SYG-98fc3427-2
0.386
THO-SYG-98fc3427-8
0.381
AAR-POS-0daf6b7e-1
0.366
AAR-POS-0daf6b7e-7
0.361
MAK-UNK-7c9d1431-15
0.360
THO-SYG-98fc3427-4
0.352
THO-SYG-98fc3427-9
0.347
THO-SYG-98fc3427-5
0.345
THO-SYG-98fc3427-1
0.341
SEL-UNI-49ab05bd-2
0.341
THO-SYG-98fc3427-10
0.337
THO-SYG-98fc3427-7
0.327
THO-SYG-98fc3427-6
0.325
THO-SYG-98fc3427-11
0.317
MAK-UNK-942dcb71-1
0.311
JAR-IMP-ed466bb3-18
0.294
MAK-UNK-942dcb71-2
0.293
MAK-UNK-c74072e5-5
0.278
MAK-UNK-902cc841-5
0.278
FAB-NA_-a0010840-2
0.277
JAN-GHE-4287bd1a-7
0.273
JAN-GHE-4287bd1a-8
0.267
FAB-NA_-a0010840-1
0.267
FAB-NA_-a0010840-3
0.266
MAK-UNK-c74072e5-3
0.265
MAK-UNK-902cc841-6
0.264
SEL-UNI-49ab05bd-1
0.261
MAR-TRE-92684b97-46
0.255
HAN-NEW-5f56c3bc-5
0.248
SAD-SAT-f0a2747f-3
0.247
SEL-UNI-49ab05bd-3
0.243
SAD-SAT-9a6c5cf3-8
0.242
MAR-TRE-aca67d11-14
0.237
MAR-TRE-6a44bbf2-85
0.236
SEL-UNI-8426c22c-1
0.236
BRU-THA-92256091-5
0.225
BRU-THA-92256091-25
0.225
BRU-THA-92256091-3
0.225
INS-INS-8dbfb37c-1
0.223
BRU-THA-92256091-33
0.223
BRU-THA-92256091-68
0.222
EDG-MED-90036822-50
0.221
MAK-UNK-752736de-2
0.220
JOH-IMS-0780e8d1-4
0.220
MAR-TRE-a78003aa-26
0.220
BRU-THA-92256091-41
0.220
ALP-POS-1245c3fa-1
0.220
SAL-INS-1c7a5a55-3
0.219
MAR-TRE-fffca54f-34
0.219
MAR-TRE-aca67d11-45
0.219
FRA-LAB-04e32718-1
0.218
JOH-IMS-0780e8d1-1
0.218
WIL-UNI-354943b6-5
0.217
MAK-UNK-e0fdfe28-1
0.217
DAN-PUR-3907f623-3
0.216
BRU-THA-92256091-43
0.216
BRU-THA-92256091-53
0.216
SAL-INS-1c7a5a55-4
0.216
CHR-MCD-2f2b3cc8-1
0.215
BRU-THA-92256091-19
0.214
BRU-THA-92256091-28
0.214
MAK-UNK-72659d64-16
0.213
MIC-UNK-67d4a29a-2
0.213
BRU-THA-92256091-2
0.213
BRU-THA-92256091-9
0.213
BRU-THA-92256091-13
0.213
BRU-THA-92256091-32
0.213
WIL-UNI-354943b6-10
0.213
ALP-POS-25b4df59-2
0.212
BRU-THA-92256091-12
0.212
MAR-TRE-87acfbcc-99
0.212
MAK-UNK-752736de-10
0.212
MAR-TRE-aca67d11-15
0.212
BRU-THA-92256091-57
0.211
BRU-THA-92256091-59
0.211
BRU-THA-92256091-74
0.211
BRU-THA-92256091-29
0.211
BRU-THA-92256091-72
0.211
DAR-DIA-d8bd013f-12
0.210
DAR-DIA-d8bd013f-11
0.210
PET-UNK-1e13ef09-1
0.210
BRU-THA-92256091-24
0.210
JUL-TUD-06b2044f-108
0.210
BRU-THA-92256091-40
0.209
BRU-THA-92256091-37
0.209
WIL-UNI-354943b6-13
0.209
MAK-UNK-752736de-6
0.209
BRU-THA-92256091-1
0.208
BRU-THA-92256091-75
0.208
BRU-THA-92256091-38
0.208
BRU-THA-92256091-4
0.207
BRU-THA-92256091-45
0.207
BRU-THA-92256091-83
0.207
BRU-THA-92256091-60
0.207
NJA-MAN-00c90aa2-8
0.207