Molecular Properties | |
SMILES: | O=C(CCl)N(c1ccc(-c2cccc3c2oc2ccc4ccccc4c23)cc1)C1C=CS(=O)(=O)C1 |
MW: | 501.08 |
Fraction sp3: | 0.11 |
HBA: | 4 |
HBD: | 0 |
Rotatable Bonds: | 4 |
TPSA: | 67.59 |
cLogP: | 6.29 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
Activated double bonds (3)
Filter88_ene_sulfone
multiple aromatic rings
MAK-UNK-c74072e5-5
0.622
AAR-POS-0daf6b7e-7
0.453
THO-SYG-98fc3427-1
0.444
THO-SYG-98fc3427-2
0.443
AAR-POS-0daf6b7e-1
0.442
AAR-POS-0daf6b7e-8
0.432
MAK-UNK-7c9d1431-15
0.387
MAK-UNK-752736de-1
0.376
THO-SYG-98fc3427-10
0.336
THO-SYG-98fc3427-11
0.330
SAD-SAT-9a6c5cf3-8
0.317
THO-SYG-98fc3427-7
0.317
THO-SYG-98fc3427-8
0.315
THO-SYG-98fc3427-6
0.315
THO-SYG-98fc3427-9
0.310
THO-SYG-98fc3427-4
0.306
JAN-GHE-4287bd1a-7
0.302
THO-SYG-98fc3427-5
0.301
SAL-INS-1c7a5a55-7
0.291
SEL-UNI-49ab05bd-2
0.288
SAL-INS-1c7a5a55-8
0.286
JAR-IMP-ed466bb3-18
0.286
JAN-GHE-4287bd1a-8
0.284
HAN-NEW-5f56c3bc-5
0.275
MAK-UNK-942dcb71-2
0.272
FAB-NA_-a0010840-1
0.271
SAL-INS-1c7a5a55-10
0.265
FAB-NA_-a0010840-3
0.261
SAL-INS-1c7a5a55-9
0.259
SEL-UNI-8426c22c-1
0.254
FAB-NA_-a0010840-2
0.254
MAK-UNK-902cc841-5
0.240
DAV-SYG-f22c749d-7
0.232
SEL-UNI-49ab05bd-3
0.231
SAD-SAT-f0a2747f-3
0.231
MAK-UNK-902cc841-6
0.228
MAK-UNK-942dcb71-1
0.226
DAN-PUR-3907f623-3
0.226
DAV-SYG-f22c749d-8
0.226
MAK-UNK-b7886382-5
0.218
MIH-UNI-e573136b-1
0.215
AAR-POS-d2a4d1df-40
0.213
MED-COV-4280ac29-31
0.213
MAK-UNK-3f402c2b-14
0.212
DAR-DIA-fb20be43-6
0.207
MAT-POS-fce787c2-11
0.207
DAR-DIA-3e9bbd81-2
0.207
WAR-XCH-72a8c209-4
0.205
JOH-UNI-3fc3434e-9
0.205
JOH-UNI-ee5ed7c8-9
0.205
MAT-POS-173a45da-1
0.205
MIC-UNK-5a93dd5f-11
0.205
AAR-POS-d2a4d1df-39
0.204
MAK-UNK-b7886382-3
0.203
JOH-UNI-a38a7bdd-6
0.203
MIC-UNK-5a93dd5f-5
0.203
MAT-POS-1f3f1a6f-4
0.202
MAK-UNK-ffc90da7-1
0.202
MAK-UNK-c749d764-6
0.202
ANT-OPE-6a16a9ad-2
0.200
MAR-TRE-6a44bbf2-91
0.200
SEL-UNI-49ab05bd-1
0.199
YUN-WES-58b0dbae-4
0.199
MIC-UNK-5a93dd5f-12
0.199
VLA-UCB-05e51b3f-9
0.198
VLA-UCB-50c39ae8-6
0.198
MIC-UNK-c66144cb-3
0.198
ALP-POS-3b848b35-4
0.198
MAK-UNK-c74072e5-2
0.198
MAK-UNK-ec98eaf6-24
0.198
DAR-DIA-0cde14eb-47
0.198
DAR-DIA-fb20be43-7
0.198
AAR-UNI-c25c2f1e-99
0.198
PET-UNK-1320d94d-1
0.197
PET-UNK-1320d94d-2
0.197
PET-UNK-a17c93d1-1
0.197
PET-UNK-1b92fa34-1
0.197
PET-UNK-a692de38-1
0.197
DAR-DIA-6a49afbe-3
0.195
ALP-POS-75715966-2
0.195
MAK-UNK-c749d764-28
0.195
IAN-BAS-b0010df8-1
0.195
MAK-UNK-b7886382-4
0.195
DAR-DIA-fb20be43-2
0.195
MAK-UNK-6ca90168-1
0.194
MAK-UNK-752736de-4
0.194
MAK-UNK-ffc90da7-4
0.194
MAK-UNK-c749d764-22
0.194
MAR-LAB-efb042c5-6
0.194
ALP-POS-c3a96089-4
0.194
MIC-UNK-cdc2493e-8
0.194
DAR-DIA-6a49afbe-5
0.194
MAT-POS-6c284e65-2
0.194
PET-UNK-064639eb-5
0.194
PET-UNK-064639eb-2
0.194
DAR-DIA-6a49afbe-4
0.194
MIC-UNK-5a93dd5f-8
0.194
MIH-UNI-e573136b-3
0.194
ALP-POS-64a710fa-1
0.194
DAR-DIA-0cde14eb-59
0.194