Molecular Properties | |
SMILES: | CC(=O)N1CCN(C(c2cccs2)C2C(O)CCCN2Cc2ccccc2)CC1 |
MW: | 413.587 |
Fraction sp3: | 0.52 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 47.02 |
cLogP: | 2.9788 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
LON-WEI-8f408cad-5
MAK-UNK-b1d4dcd7-9
0.424
MAK-UNK-b1d4dcd7-5
0.388
MAK-UNK-b1d4dcd7-4
0.380
AAR-POS-0daf6b7e-26
0.380
MAK-UNK-6435e6c2-9
0.380
MAK-UNK-b1d4dcd7-10
0.379
WIL-LEE-23e8b574-5
0.337
SAD-SAT-c989feaa-4
0.326
DRA-CSI-47e38074-2
0.316
MAK-UNK-902cc841-2
0.313
MAK-UNK-1bb0b7ee-13
0.309
MAR-SOS-c7881798-11
0.306
MAR-SOS-82e3a7c7-10
0.306
MAK-UNK-af83ef51-2
0.303
MAK-UNK-10dfa458-9
0.303
MAK-UNK-b1d4dcd7-7
0.302
GIA-UNK-20b63697-3
0.298
WIL-LEE-23e8b574-1
0.298
MAK-UNK-902cc841-16
0.296
MAK-UNK-987948f6-1
0.294
GIA-UNK-20b63697-6
0.293
MAK-UNK-6435e6c2-2
0.289
MAK-UNK-1bb0b7ee-8
0.289
IFT-SAT-023cfffe-2
0.286
MAK-UNK-a7992eb3-26
0.284
GIA-UNK-20b63697-2
0.284
GIA-UNK-20b63697-5
0.284
MAK-UNK-1bb0b7ee-11
0.281
IFT-SAT-023cfffe-1
0.281
MAK-UNK-902cc841-15
0.277
MAK-UNK-902cc841-12
0.276
MAK-UNK-902cc841-7
0.276
DRA-CSI-47e38074-3
0.276
AAR-POS-fca48359-5
0.275
SAD-SAT-1f400d17-1
0.274
MAK-UNK-902cc841-3
0.271
MAR-SOS-c7881798-9
0.271
MAR-SOS-82e3a7c7-9
0.271
GIA-UNK-20b63697-4
0.271
MAK-UNK-6435e6c2-1
0.271
GIA-UNK-20b63697-9
0.270
MAK-UNK-902cc841-1
0.269
MAK-UNK-10dfa458-39
0.269
DRA-CSI-47e38074-10
0.269
GIA-UNK-20b63697-8
0.268
MAK-UNK-902cc841-9
0.267
GIA-UNK-595fac82-5
0.267
MAK-UNK-902cc841-5
0.266
PAU-WEI-b9b69149-4
0.264
ANT-OPE-c0c3e7cc-1
0.264
MAK-UNK-7c9d1431-24
0.262
DRR-IMP-38dce17f-3
0.262
MAK-UNK-a7992eb3-13
0.262
DRA-CSI-47e38074-12
0.261
MAR-SOS-82e3a7c7-1
0.261
MAR-SOS-c7881798-2
0.261
DRA-CSI-47e38074-4
0.261
NIM-UNI-36e12f95-2
0.259
MAK-UNK-902cc841-11
0.259
GIA-UNK-5ec6c2b8-3
0.259
DOU-UNK-b5326f8f-6
0.257
SEL-UNI-cd366922-5
0.255
PAU-WEI-b9b69149-1
0.255
MAK-UNK-a7992eb3-5
0.254
MAK-UNK-b1d4dcd7-11
0.252
AAR-UNI-c25c2f1e-47
0.250
MAK-UNK-31051d4e-5
0.250
MAR-TRE-0fda4e82-52
0.250
DRA-CSI-47e38074-6
0.250
DRA-CSI-47e38074-13
0.250
DRA-CSI-47e38074-5
0.250
MAK-UNK-1bb0b7ee-4
0.248
DRA-CSI-47e38074-15
0.248
JAN-GHE-1d98ec1c-8
0.247
AHN-SAT-de2502ba-1
0.247
MAK-UNK-6435e6c2-3
0.247
BEN-DND-362d364a-5
0.246
MAR-TRE-87acfbcc-18
0.245
MAR-SOS-c7881798-3
0.243
MAR-SOS-82e3a7c7-2
0.243
DAV-UNI-bdcebb58-1
0.243
AAR-POS-fca48359-3
0.243
MAK-UNK-194150d3-7
0.242
DRA-CSI-47e38074-16
0.242
MAR-TRE-6a44bbf2-92
0.242
PAU-WEI-b9b69149-7
0.242
SIM-SYN-f15aaa3a-1
0.241
JOH-IMS-7e73aedd-4
0.241
JUA-UNI-bc099708-1
0.240
SAD-SAT-c989feaa-8
0.240
DAN-LON-a5fc619e-9
0.240
DRA-CSI-47e38074-14
0.240
FRA-BIO-8bf1eac9-8
0.239
GIA-UNK-20b63697-7
0.239
YUN-WES-64c64eb2-1
0.239
YUN-WES-58b0dbae-2
0.239
MAK-UNK-b1d4dcd7-8
0.239
DAV-UNI-bdcebb58-4
0.239
NAU-LAT-a5c7d7cb-5
0.239
SAD-SAT-c989feaa-9
0.239