Molecular Properties | |
SMILES: | CC(=O)N1CCN(Cc2[nH]c3cc(S(N)(=O)=O)ccc3c(=O)c2Cl)CC1 |
MW: | 398.872 |
Fraction sp3: | 0.38 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 3 |
TPSA: | 116.57 |
cLogP: | 0.493000000000001 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
Dye 22
CHR-UNK-b46452fc-1
1.000
HEI-REL-0c990a45-4
0.442
JAN-GHE-1d98ec1c-1
0.405
JAN-GHE-1d98ec1c-4
0.379
JAN-GHE-1d98ec1c-3
0.379
JAN-GHE-1d98ec1c-5
0.375
HEI-REL-0c990a45-2
0.371
WIL-LEE-23e8b574-4
0.362
MIH-UNI-6b9ca91a-9
0.355
NIM-UNI-02269248-3
0.344
DAR-DIA-fb20be43-9
0.340
WIL-LEE-23e8b574-7
0.337
JAN-GHE-1d98ec1c-10
0.333
DAR-DIA-fb20be43-12
0.326
HEI-REL-0c990a45-1
0.323
JAN-GHE-1d98ec1c-7
0.322
LON-WEI-b8d98729-4
0.322
JAN-GHE-1d98ec1c-9
0.322
JAN-GHE-1d98ec1c-2
0.322
MIH-UNI-e573136b-4
0.319
HEI-REL-0c990a45-5
0.316
JAN-GHE-1d98ec1c-8
0.315
KIM-UNI-2ee5d8f9-1
0.312
PAT-UNK-b2d83456-1
0.310
KIM-UNI-7d12df64-1
0.307
SAD-SAT-581007d4-4
0.307
AND-UNI-23ac02e4-1
0.304
KIM-UNI-7d12df64-3
0.302
SEL-UNI-cd366922-7
0.301
BEN-VAN-d8fd1356-20
0.301
BEN-VAN-c986b20b-10
0.298
WIL-LEE-23e8b574-2
0.298
HEI-REL-0c990a45-3
0.295
SAD-SAT-581007d4-3
0.292
JAN-GHE-fd8d85a5-10
0.292
MAK-UNK-6435e6c2-3
0.291
MAK-UNK-6435e6c2-2
0.287
PAT-UNK-b2d83456-2
0.287
KEI-UNI-85a52787-1
0.284
BEN-VAN-c986b20b-3
0.284
MAK-UNK-af83ef51-17
0.283
KIM-UNI-7d12df64-2
0.283
KEI-UNI-85a52787-2
0.281
JAN-GHE-fd8d85a5-3
0.277
JAN-GHE-fd8d85a5-8
0.277
JAN-GHE-fd8d85a5-9
0.277
KEI-UNI-85a52787-3
0.276
BEN-VAN-c986b20b-5
0.276
KRI-MAR-d2e3ef86-5
0.276
BEN-DND-7e92b6ca-10
0.276
NIM-UNI-594fbbb6-3
0.275
NIM-UNI-bb610069-3
0.275
PED-UNI-89deb5c9-1
0.273
JAN-GHE-fd8d85a5-1
0.272
PAU-UNI-2d648ace-1
0.269
JAN-GHE-1d98ec1c-6
0.269
BEN-VAN-d8fd1356-21
0.269
BEN-VAN-c986b20b-1
0.268
BEN-VAN-c986b20b-13
0.267
MAT-POS-590ac91e-66
0.267
PAT-UNK-b2d83456-3
0.267
JOK-SYG-6ec557d2-1
0.265
WIL-LEE-23e8b574-3
0.264
BEN-VAN-d8fd1356-24
0.263
BEN-VAN-c986b20b-16
0.258
JIA-UNI-93b03cae-1
0.253
ISA-SCH-8e98219b-3
0.253
HAR-NEW-e34cb1ae-5
0.252
WIL-LEE-23e8b574-1
0.250
SID-UNK-90efdc9b-1
0.250
PAT-UNK-b2d83456-5
0.250
JOH-MSK-d60b0211-1
0.250
TAM-UNI-d1c3dd9f-6
0.250
JOH-UNI-23d9e1b1-1
0.250
BEN-DND-6de5dfa0-19
0.250
DAR-DIA-3e9bbd81-9
0.248
SAD-SAT-c989feaa-9
0.248
PAT-UNK-b2d83456-4
0.248
ISA-SCH-8e98219b-2
0.247
DAR-DIA-ecdbc7dd-19
0.246
ERI-UCB-a0b0dbcb-12
0.245
STU-CHA-464c0256-1
0.245
JAN-GHE-fd8d85a5-2
0.245
JOH-UNK-14e6adc5-8
0.245
BEN-VAN-c986b20b-17
0.245
JUL-TUD-06b2044f-30
0.245
BEN-VAN-c986b20b-2
0.245
SIM-DEM-5935bd74-3
0.245
MIH-UNI-e573136b-5
0.245
JOH-UNK-14e6adc5-7
0.245
AHN-SAT-de2502ba-15
0.244
MAK-UNK-0b1cbb06-5
0.244
MAK-UNK-7c9d1431-24
0.244
DRR-IMP-38dce17f-3
0.244
MAK-UNK-6435e6c2-11
0.244
MAK-UNK-4c6b313a-1
0.244
MAK-UNK-6435e6c2-10
0.244
ALP-POS-3fc1724e-4
0.243
MAT-POS-590ac91e-67
0.243
ERI-UCB-a0b0dbcb-14
0.243