Molecular Properties | |
SMILES: | O=C(CCl)N(c1ccc(-c2ccc3oc4ccc5ccccc5c4c3c2)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-c74072e5-3
0.622
AAR-POS-0daf6b7e-1
0.464
AAR-POS-0daf6b7e-7
0.459
AAR-POS-0daf6b7e-8
0.437
THO-SYG-98fc3427-2
0.432
THO-SYG-98fc3427-1
0.418
MAK-UNK-752736de-1
0.396
MAK-UNK-7c9d1431-15
0.391
THO-SYG-98fc3427-11
0.358
SAD-SAT-9a6c5cf3-8
0.341
THO-SYG-98fc3427-10
0.339
THO-SYG-98fc3427-6
0.339
THO-SYG-98fc3427-8
0.330
THO-SYG-98fc3427-9
0.324
THO-SYG-98fc3427-7
0.320
THO-SYG-98fc3427-4
0.319
JAN-GHE-4287bd1a-7
0.317
THO-SYG-98fc3427-5
0.314
SAL-INS-1c7a5a55-7
0.306
SEL-UNI-49ab05bd-2
0.304
SAL-INS-1c7a5a55-8
0.300
JAN-GHE-4287bd1a-8
0.299
JAR-IMP-ed466bb3-18
0.288
MAK-UNK-942dcb71-2
0.287
FAB-NA_-a0010840-1
0.283
SAL-INS-1c7a5a55-10
0.278
HAN-NEW-5f56c3bc-5
0.277
FAB-NA_-a0010840-2
0.273
SAL-INS-1c7a5a55-9
0.272
FAB-NA_-a0010840-3
0.263
SEL-UNI-8426c22c-1
0.257
DAV-SYG-f22c749d-7
0.242
MAK-UNK-942dcb71-1
0.240
DAV-SYG-f22c749d-8
0.235
SAD-SAT-f0a2747f-3
0.233
SEL-UNI-49ab05bd-3
0.233
MAK-UNK-902cc841-5
0.231
MAK-UNK-902cc841-6
0.230
DAN-PUR-3907f623-3
0.229
DAR-DIA-fb20be43-6
0.219
PET-UNK-064639eb-2
0.214
PET-UNK-064639eb-5
0.214
KAD-UNI-8a629cb0-29
0.213
MAT-POS-1f3f1a6f-4
0.213
PET-UNK-d9de6a0b-2
0.210
MAK-UNK-b7886382-5
0.210
ALP-POS-67d5babe-2
0.209
VLA-UCB-50c39ae8-6
0.209
VLA-UCB-05e51b3f-9
0.209
LYN-UNI-0d9431a4-5
0.209
DAR-DIA-3e9bbd81-2
0.208
YUN-WES-58b0dbae-4
0.208
SEL-UNI-49ab05bd-1
0.208
PET-UNK-1b92fa34-1
0.208
MAK-UNK-752736de-4
0.208
JOH-UNI-3fc3434e-9
0.207
JOH-UNI-ee5ed7c8-9
0.207
MAT-POS-173a45da-1
0.206
DAR-DIA-6a49afbe-3
0.206
EDJ-MED-d203f206-6
0.205
DAR-DIA-6a49afbe-5
0.205
DAR-DIA-6a49afbe-6
0.203
MAR-TRE-6a44bbf2-91
0.202
STE-KUL-2e0d2e88-2
0.202
MIC-UNK-644c43c7-4
0.202
PET-UNK-c5865d42-1
0.202
PET-UNK-064639eb-3
0.202
PET-UNK-064639eb-4
0.202
PET-UNK-064639eb-6
0.202
PET-UNK-064639eb-1
0.202
MIC-UNK-d58dbb53-3
0.201
DAR-DIA-fb20be43-7
0.200
VLA-UCB-34f3ed0c-7
0.200
MAK-UNK-c74072e5-2
0.200
KAD-UNI-8a629cb0-38
0.199
MAT-POS-fce787c2-10
0.198
MIC-UNK-cdc2493e-17
0.198
EDJ-MED-50011917-1
0.198
MAK-UNK-752736de-2
0.198
INS-INS-8dbfb37c-1
0.197
MAK-UNK-c749d764-28
0.197
MAK-UNK-b7886382-4
0.197
DAR-DIA-fb20be43-2
0.196
WAR-XCH-72a8c209-4
0.196
MAK-UNK-6ca90168-1
0.196
INS-INS-714f82db-1
0.196
KAD-UNI-8a629cb0-32
0.196
JAG-UCB-706446eb-4
0.196
ALP-POS-64a710fa-1
0.195
JOH-UNI-a38a7bdd-6
0.195
DAR-DIA-3e9bbd81-6
0.195
DAR-DIA-6a49afbe-4
0.195
VLA-UCB-05e51b3f-15
0.195
MAK-UNK-b7886382-3
0.195
PET-UNK-6c2be958-1
0.195
PET-UNK-12d8d43f-1
0.195
DAR-DIA-fb20be43-8
0.195
PAU-UNI-19862c28-1
0.195
BRU-UNI-418e22dc-11
0.195
KAD-UNI-8a629cb0-24
0.195