Molecular Properties | |
SMILES: | COC(=O)c1cccc(NS(=O)(=O)C(c2cccs2)N2CCN(C(C)=O)CC2)c1 |
MW: | 437.543 |
Fraction sp3: | 0.37 |
HBA: | 7 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 96.02 |
cLogP: | 2.1393 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
Ester
Hetero_hetero
MAK-UNK-902cc841-14
0.688
MAK-UNK-902cc841-11
0.540
MAK-UNK-6435e6c2-7
0.444
AAR-POS-0daf6b7e-31
0.444
MAK-UNK-902cc841-13
0.442
MAK-UNK-9159f8ed-3
0.387
MAK-UNK-9159f8ed-2
0.360
MAK-UNK-9159f8ed-1
0.350
MAK-UNK-902cc841-3
0.340
MAK-UNK-902cc841-7
0.320
JAN-GHE-1d98ec1c-9
0.315
MAK-UNK-902cc841-9
0.310
MAK-UNK-6435e6c2-1
0.309
MAK-UNK-9159f8ed-7
0.307
MAK-UNK-902cc841-16
0.302
MAK-UNK-902cc841-15
0.296
MAK-UNK-9159f8ed-5
0.295
MAK-UNK-9159f8ed-4
0.284
MAK-UNK-902cc841-5
0.283
MAK-UNK-10dfa458-23
0.283
MAK-UNK-6435e6c2-2
0.280
MAK-UNK-902cc841-2
0.280
MAK-UNK-b1d4dcd7-6
0.276
MAK-UNK-902cc841-4
0.269
JON-UNI-bb9dc649-16
0.267
DAN-MCD-0742953f-1
0.267
MAK-UNK-10dfa458-32
0.263
DOU-UNK-b5326f8f-6
0.262
LON-WEI-b8d98729-4
0.260
JAN-GHE-1d98ec1c-7
0.260
MAK-UNK-212f693e-5
0.253
JON-UNI-bb9dc649-11
0.253
MAK-UNK-902cc841-8
0.252
MAK-UNK-9159f8ed-6
0.250
MAK-UNK-1e8f9e3c-1
0.250
AND-UNI-23ac02e4-1
0.250
LON-WEI-adc59df6-24
0.250
JAN-GHE-1d98ec1c-6
0.250
MAK-UNK-902cc841-1
0.250
WIL-LEE-23e8b574-8
0.250
JOO-IND-6372a4f3-2
0.250
MAR-TRE-fd17a9b8-52
0.247
JOO-IND-6372a4f3-3
0.247
TAT-ENA-80bfd3e5-44
0.244
MAK-UNK-902cc841-10
0.243
AAR-UNI-c25c2f1e-47
0.243
MAK-UNK-6435e6c2-5
0.241
WAR-XCH-b6889685-64
0.240
MAK-UNK-6435e6c2-10
0.238
MAK-UNK-4c6b313a-1
0.238
MAK-UNK-6435e6c2-11
0.238
MAR-TRE-8190bb11-10
0.237
NAU-LAT-a5c7d7cb-6
0.236
LON-WEI-120e5cf5-19
0.235
ANT-OPE-7824651a-1
0.235
MAR-TRE-799db12b-73
0.235
NAU-LAT-a5c7d7cb-3
0.234
VLA-UCB-05e51b3f-2
0.234
MAK-UNK-212f693e-14
0.233
MAK-UNK-6435e6c2-6
0.233
MAK-UNK-6ca90168-19
0.232
WIL-LEE-23e8b574-3
0.232
JOO-IND-6372a4f3-1
0.232
JAN-GHE-1d98ec1c-2
0.232
MAT-POS-7dfc56d9-1
0.231
MAK-UNK-902cc841-17
0.231
JAR-IMP-ed466bb3-18
0.230
WIL-LEE-23e8b574-1
0.230
MAK-UNK-10dfa458-25
0.229
AAR-POS-d2a4d1df-38
0.229
JON-UNI-bb9dc649-20
0.229
NIY-UNK-62612a68-3
0.228
WIL-LEE-23e8b574-5
0.228
DOU-UNK-b5326f8f-9
0.228
NAU-LAT-a5c7d7cb-2
0.227
MIC-UNK-5a93dd5f-10
0.227
MIC-UNK-6ab519a7-1
0.227
NIR-THE-590dedc7-1
0.227
JAN-GHE-1d98ec1c-8
0.227
ELE-IMP-dfb36048-3
0.226
JON-UIO-066ce08b-4
0.226
ANT-OPE-7824651a-2
0.226
NAU-LAT-3f5f3993-10
0.224
AAR-POS-d2a4d1df-22
0.222
LON-WEI-8f408cad-3
0.222
MAK-UNK-10dfa458-4
0.222
MAR-TRE-6a44bbf2-52
0.222
BEN-DND-03ad4429-7
0.222
DAN-RED-da448e80-18
0.222
NIM-UNI-02269248-3
0.221
WIL-UNI-1faa9b10-7
0.221
MAK-UNK-c8c8f7e2-29
0.221
BEN-DND-6de5dfa0-10
0.221
PAT-UNK-b2d83456-3
0.221
ISA-SCH-8e98219b-3
0.221
JOH-UNI-0e1753c1-1
0.221
MAK-UNK-212f693e-1
0.221
JAN-GHE-1d98ec1c-4
0.220
SAD-SAT-2fd372d1-1
0.220
MAK-UNK-10dfa458-26
0.220