Molecular Properties | |
SMILES: | CC(=O)N1CCN(Cc2cccs2)C(C2C(O)CCCN2Cc2ccccc2)C1 |
MW: | 413.587 |
Fraction sp3: | 0.52 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 47.02 |
cLogP: | 2.8063 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
LON-WEI-8f408cad-5
MAK-UNK-b1d4dcd7-10
0.633
MAK-UNK-b1d4dcd7-5
0.469
MAK-UNK-b1d4dcd7-4
0.444
MAK-UNK-b1d4dcd7-6
0.424
MAK-UNK-b1d4dcd7-11
0.358
AAR-POS-0daf6b7e-26
0.357
MAK-UNK-6435e6c2-9
0.357
MAK-UNK-6435e6c2-2
0.349
DOU-UNK-b5326f8f-8
0.336
MAK-UNK-b1d4dcd7-7
0.324
MAK-UNK-3f402c2b-26
0.323
MAK-UNK-987948f6-1
0.315
SAD-SAT-c989feaa-4
0.309
IFT-SAT-023cfffe-2
0.307
NIM-UNI-36e12f95-2
0.306
IFT-SAT-023cfffe-1
0.302
DAV-CRI-0207e898-1
0.296
LON-WEI-8f408cad-5
0.289
AAR-POS-0daf6b7e-17
0.289
MAK-UNK-1bb0b7ee-13
0.284
DRA-CSI-47e38074-2
0.282
MAK-UNK-10dfa458-2
0.275
MAK-UNK-1bb0b7ee-8
0.275
MAK-UNK-af83ef51-2
0.274
MAK-UNK-a7992eb3-26
0.273
MAK-UNK-10dfa458-21
0.272
MAK-UNK-902cc841-1
0.269
MAK-UNK-1bb0b7ee-11
0.267
MAR-SOS-c7881798-11
0.267
MAR-SOS-82e3a7c7-10
0.267
MAK-UNK-a7992eb3-13
0.261
MAK-UNK-b1d4dcd7-8
0.261
MAK-UNK-10dfa458-9
0.260
DRA-CSI-47e38074-10
0.255
SAD-SAT-1f400d17-8
0.255
MAK-UNK-ec98eaf6-11
0.255
MAK-UNK-a7992eb3-5
0.254
WIL-LEE-23e8b574-1
0.253
GIA-UNK-595fac82-5
0.253
DAN-LON-a5fc619e-9
0.252
SAL-INS-1c7a5a55-11
0.252
WIL-LEE-23e8b574-5
0.250
IFT-SAT-023cfffe-5
0.250
MAK-UNK-b1d4dcd7-1
0.248
MAK-UNK-a7992eb3-20
0.248
MAR-SOS-82e3a7c7-9
0.248
MAR-SOS-c7881798-9
0.248
AAR-POS-fca48359-5
0.247
DRR-IMP-38dce17f-3
0.247
MAK-UNK-7c9d1431-24
0.247
ERI-BAS-f6f91199-1
0.245
GIA-UNK-5ec6c2b8-3
0.244
SAD-SAT-1f400d17-1
0.244
YOI-UNK-12211982-4
0.243
YOI-UNK-a533afbc-4
0.243
JOH-UNI-27ac80fd-5
0.242
MAK-UNK-ec98eaf6-2
0.241
KEI-UNI-85a52787-6
0.240
FRA-BIO-8bf1eac9-8
0.240
WIL-UNI-d4749f31-8
0.239
JOH-UNI-27ac80fd-28
0.238
NIC-BIO-f814dd3d-1
0.237
ANT-OPE-c0c3e7cc-1
0.237
BEN-DND-362d364a-1
0.237
ERI-UCB-ce40166b-24
0.237
MAT-POS-ea426761-98
0.236
MAK-UNK-1bb0b7ee-15
0.236
MED-COV-4280ac29-8
0.236
MED-COV-4280ac29-25
0.236
DRA-CSI-47e38074-11
0.235
AHN-SAT-de2502ba-1
0.235
BEN-DND-362d364a-5
0.235
MAK-UNK-b1d4dcd7-3
0.235
MAK-UNK-5d2caa6f-7
0.234
BEN-VAN-c986b20b-14
0.234
DRA-CSI-47e38074-3
0.234
DRA-CSI-47e38074-12
0.234
JAR-KUA-8c13982c-13
0.234
MAR-TRE-04c86cea-23
0.233
MAR-TRE-3159af1a-75
0.233
AAR-POS-fca48359-3
0.232
DAV-UNI-bdcebb58-1
0.232
RAI-NOV-2f6a9876-4
0.231
PAU-WEI-b9b69149-1
0.231
MAK-UNK-a7992eb3-21
0.231
MAK-UNK-df1a028e-4
0.231
MAR-TRE-dab8f6ea-4
0.231
LON-WEI-f8a636e2-1
0.230
PAU-WEI-b9b69149-4
0.230
MAK-UNK-10dfa458-39
0.230
DUN-NEW-f8ce3686-22
0.230
JOE-SYG-2c9a1216-1
0.229
STU-CHA-0be58c98-1
0.229
SAD-SAT-c989feaa-8
0.229
SAD-SAT-2fd372d1-1
0.229
MED-COV-dea4df70-1
0.229
MAK-UNK-6435e6c2-1
0.228
MAK-UNK-31051d4e-5
0.228
DAV-UNI-bdcebb58-4
0.228
GIA-UNK-20b63697-6
0.228