Molecular Properties | |
SMILES: | O=C(CCl)N(c1ccc(F)cc1Cc1ccccc1)C1C=CS(=O)(=O)C1 |
MW: | 393.867 |
Fraction sp3: | 0.21 |
HBA: | 3 |
HBD: | 0 |
Rotatable Bonds: | 5 |
TPSA: | 54.45 |
cLogP: | 3.299 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
Activated double bonds (3)
Filter88_ene_sulfone
SAL-INS-1c7a5a55-7
0.750
SAL-INS-1c7a5a55-10
0.630
SAL-INS-1c7a5a55-9
0.477
AAR-POS-0daf6b7e-1
0.459
AAR-POS-0daf6b7e-8
0.447
THO-SYG-98fc3427-8
0.429
MAK-UNK-752736de-1
0.418
AAR-POS-0daf6b7e-7
0.397
MAK-UNK-7c9d1431-15
0.395
THO-SYG-98fc3427-2
0.388
THO-SYG-98fc3427-10
0.379
THO-SYG-98fc3427-1
0.373
SAD-SAT-f0a2747f-3
0.366
THO-SYG-98fc3427-9
0.361
THO-SYG-98fc3427-11
0.343
SEL-UNI-49ab05bd-2
0.341
THO-SYG-98fc3427-4
0.340
JAN-GHE-4287bd1a-7
0.326
THO-SYG-98fc3427-5
0.321
THO-SYG-98fc3427-7
0.315
THO-SYG-98fc3427-6
0.312
JAN-GHE-4287bd1a-8
0.305
JAR-IMP-ed466bb3-18
0.305
MAK-UNK-c74072e5-5
0.300
MAK-UNK-942dcb71-2
0.292
MAK-UNK-c74072e5-3
0.286
SAD-SAT-9a6c5cf3-8
0.282
MAK-UNK-942dcb71-1
0.281
MAK-UNK-902cc841-5
0.276
MAK-UNK-752736de-12
0.275
MAK-UNK-752736de-10
0.269
MAK-UNK-752736de-2
0.269
FAB-NA_-a0010840-3
0.264
MAK-UNK-902cc841-6
0.262
MAK-UNK-ec98eaf6-7
0.257
HAN-NEW-5f56c3bc-5
0.257
TAT-ENA-80bfd3e5-23
0.256
FAB-NA_-a0010840-1
0.254
MED-COV-4280ac29-19
0.248
FAB-NA_-a0010840-2
0.246
SEL-UNI-8426c22c-1
0.245
MAR-LAB-efb042c5-6
0.244
JOH-UNI-a38a7bdd-8
0.243
YUN-WES-58b0dbae-4
0.241
JOH-UNI-a38a7bdd-9
0.240
SAD-SAT-d8079f6f-8
0.237
MAK-UNK-942dcb71-16
0.235
MAK-UNK-987948f6-1
0.234
MAK-UNK-752736de-8
0.234
MAR-TRE-6a44bbf2-85
0.233
DAN-LON-a5fc619e-10
0.232
JOH-UNI-a38a7bdd-7
0.231
DAV-CRI-f4772df7-2
0.231
SEL-UNI-49ab05bd-1
0.231
SEL-UNI-49ab05bd-3
0.231
SAD-SAT-d8079f6f-7
0.231
MAK-UNK-752736de-4
0.228
MAK-UNK-e0fdfe28-1
0.228
RUB-POS-1325a9ea-21
0.228
JOH-UNI-a38a7bdd-3
0.228
GIA-UNK-d2defdc3-9
0.227
JOH-UNI-a38a7bdd-1
0.226
MAK-UNK-942dcb71-18
0.226
DAN-PUR-3907f623-3
0.226
RAL-MED-2de63afb-6
0.224
PET-UNK-f92d7c0c-3
0.223
JOH-UNI-50ce7ec3-6
0.223
DAV-CRI-f4772df7-4
0.223
DRR-IMP-38dce17f-2
0.222
JOH-UNI-a38a7bdd-6
0.221
WIL-UNI-5578df48-11
0.221
INS-INS-8dbfb37c-1
0.220
MED-COV-4280ac29-8
0.220
RIC-ARG-a8e88843-4
0.219
GIA-UNK-7337c2f3-5
0.219
MAK-UNK-752736de-6
0.218
MAK-UNK-752736de-5
0.218
MAR-TRE-6a44bbf2-80
0.217
MAK-UNK-af83ef51-2
0.217
TRY-UNI-9f475305-7
0.217
PET-UNK-f92d7c0c-7
0.216
MIC-SGC-657978c3-7
0.216
JOH-UNI-a38a7bdd-5
0.216
MAR-LAB-ca4662a6-3
0.216
AAR-UNI-c25c2f1e-39
0.216
JOH-UNI-a38a7bdd-4
0.216
MED-COV-4280ac29-1
0.216
MAK-UNK-ec98eaf6-2
0.215
MAK-UNK-7c9d1431-24
0.214
MAK-UNK-df1a028e-4
0.214
MAT-POS-b5746674-112
0.214
DRR-IMP-38dce17f-3
0.214
MAK-UNK-f983951f-5
0.214
MAK-UNK-942dcb71-4
0.214
INS-INS-a68edfff-1
0.214
INS-INS-398f5681-1
0.214
ALP-POS-02c6a514-11
0.214
DRA-CSI-47e38074-9
0.214
COM-UCB-1ef4e90e-20
0.213
JOH-UNI-50ce7ec3-5
0.213